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Dicarbonyl Compounds

Organic compounds that contain two carbonyl functional groups; a carbonyl functional group consists of a carbon atom with a double bond to an oxygen atom (C=O).
Molecular Weight (g/mol) 
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Quantity 
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Percent Purity 
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Boiling Point 
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Physical Form 
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Quantity

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Percent Purity

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Boiling Point

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Physical Form

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Grade

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1 – 15 of 70 results
1

Diethyl malonate, 99%

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

EDGE
PubChem CID 7761
CAS 105-53-3
Molecular Weight (g/mol) 160.169
MDL Number MFCD00009195
SMILES CCOC(=O)CC(=O)OCC
Synonym diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van
IUPAC Name diethyl propanedioate
InChI Key IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Molecular Formula C7H12O4
2

Malonic acid, 99%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

EDGE
PubChem CID 867
CAS 141-82-2
Molecular Weight (g/mol) 104.061
ChEBI CHEBI:30794
MDL Number MFCD00002707
SMILES C(C(=O)O)C(=O)O
Synonym malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
IUPAC Name propanedioic acid
InChI Key OFOBLEOULBTSOW-UHFFFAOYSA-N
Molecular Formula C3H4O4
3

Ethyl acetoacetate, 99+%

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

EDGE
PubChem CID 8868
CAS 141-97-9
Molecular Weight (g/mol) 130.143
ChEBI CHEBI:4893
MDL Number MFCD00009199
SMILES CCOC(=O)CC(=O)C
Synonym ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
IUPAC Name ethyl 3-oxobutanoate
InChI Key XYIBRDXRRQCHLP-UHFFFAOYSA-N
Molecular Formula C6H10O3
4

Dimethyl malonate, 98+%

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

PubChem CID 7943
CAS 108-59-8
Molecular Weight (g/mol) 132.115
MDL Number MFCD00008460
SMILES COC(=O)CC(=O)OC
Synonym dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester
IUPAC Name dimethyl propanedioate
InChI Key BEPAFCGSDWSTEL-UHFFFAOYSA-N
Molecular Formula C5H8O4
5

Malonyl dichloride, 94%

CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl

PubChem CID 74269
CAS 1663-67-8
Molecular Weight (g/mol) 140.947
MDL Number MFCD00000735
SMILES C(C(=O)Cl)C(=O)Cl
Synonym malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride
IUPAC Name propanedioyl dichloride
InChI Key SXYFKXOFMCIXQW-UHFFFAOYSA-N
Molecular Formula C3H2Cl2O2
6

Diethyl methylmalonate, 99%

CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

PubChem CID 11857
CAS 609-08-5
Molecular Weight (g/mol) 174.196
MDL Number MFCD00009162
SMILES CCOC(=O)C(C)C(=O)OCC
Synonym diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl
IUPAC Name diethyl 2-methylpropanedioate
InChI Key UPQZOUHVTJNGFK-UHFFFAOYSA-N
Molecular Formula C8H14O4
7

Ethyl hydrogen malonate, 96%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

PubChem CID 70615
CAS 1071-46-1
Molecular Weight (g/mol) 132.115
ChEBI CHEBI:86907
MDL Number MFCD00020490
SMILES CCOC(=O)CC(=O)O
Synonym ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate
IUPAC Name 3-ethoxy-3-oxopropanoic acid
InChI Key HGINADPHJQTSKN-UHFFFAOYSA-N
Molecular Formula C5H8O4
8

Ethyl malonyl chloride, 95%

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O

PubChem CID 118931
CAS 36239-09-5
Molecular Weight (g/mol) 150.56
MDL Number MFCD00000736
SMILES CCOC(=O)CC(Cl)=O
Synonym ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester
IUPAC Name ethyl 3-chloro-3-oxopropanoate
InChI Key KWFADUNOPOSMIJ-UHFFFAOYSA-N
Molecular Formula C5H7ClO3
9

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

PubChem CID 15538
CAS 1694-31-1
Molecular Weight (g/mol) 158.197
MDL Number MFCD00008811
SMILES CC(=O)CC(=O)OC(C)(C)C
Synonym tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
IUPAC Name tert-butyl 3-oxobutanoate
InChI Key JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula C8H14O3
10

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%

CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

PubChem CID 94866
CAS 6289-46-9
Molecular Weight (g/mol) 228.20
MDL Number MFCD00001607
SMILES COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Synonym dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
InChI Key MHKKFFHWMKEBDW-UHFFFAOYNA-N
Molecular Formula C10H12O6
11

Ethyl 2-cyanoacetoacetate

CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O

PubChem CID 136455
CAS 634-55-9
Molecular Weight (g/mol) 155.15
ChEBI CHEBI:51924
MDL Number MFCD00043487
SMILES CCOC(=O)C(C#N)C(C)=O
Synonym ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939
IUPAC Name ethyl 2-cyano-3-oxobutanoate
InChI Key NWOKVFOTWMZMHL-UHFFFAOYNA-N
Molecular Formula C7H9NO3
12

Ethyl isobutyrylacetate, 94%

CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C

PubChem CID 81583
CAS 7152-15-0
Molecular Weight (g/mol) 158.197
MDL Number MFCD00009198
SMILES CCOC(=O)CC(=O)C(C)C
Synonym ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate
IUPAC Name ethyl 4-methyl-3-oxopentanoate
InChI Key XCLDSQRVMMXWMS-UHFFFAOYSA-N
Molecular Formula C8H14O3
13

Dimethyl cyclohexylmalonate, 95%

CAS: 49769-76-8 Molecular Formula: C11H18O4 Molecular Weight (g/mol): 214.261 MDL Number: MFCD05666206 InChI Key: CULITIDIVVTWIV-UHFFFAOYSA-N Synonym: dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester PubChem CID: 2793740 IUPAC Name: dimethyl 2-cyclohexylpropanedioate SMILES: COC(=O)C(C1CCCCC1)C(=O)OC

PubChem CID 2793740
CAS 49769-76-8
Molecular Weight (g/mol) 214.261
MDL Number MFCD05666206
SMILES COC(=O)C(C1CCCCC1)C(=O)OC
Synonym dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester
IUPAC Name dimethyl 2-cyclohexylpropanedioate
InChI Key CULITIDIVVTWIV-UHFFFAOYSA-N
Molecular Formula C11H18O4
14

tert-Butyl ethyl malonate, 95%

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

PubChem CID 96345
CAS 32864-38-3
Molecular Weight (g/mol) 188.223
MDL Number MFCD00009193
SMILES CCOC(=O)CC(=O)OC(C)(C)C
Synonym tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate
IUPAC Name 3-O-tert-butyl 1-O-ethyl propanedioate
InChI Key OCOBFMZGRJOSOU-UHFFFAOYSA-N
Molecular Formula C9H16O4
15

Diethyl benzylmalonate, 97%

CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

PubChem CID 69090
CAS 607-81-8
Molecular Weight (g/mol) 250.294
MDL Number MFCD00009166
SMILES CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
Synonym diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate
IUPAC Name diethyl 2-benzylpropanedioate
InChI Key ICZLTZWATFXDLP-UHFFFAOYSA-N
Molecular Formula C14H18O4