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).

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Malonic acid, 99%

CAS: 141-82-2 Molecular Formula: C₃H₄O₄ Molecular Weight (g/mol): 104.06 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

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PubChem CID	867
CAS	141-82-2
Molecular Weight (g/mol)	104.06
ChEBI	CHEBI:30794
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

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

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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

Methylmalonic acid, 96%

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(O)=O)C(O)=O

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PubChem CID	487
CAS	516-05-2
Molecular Weight (g/mol)	118.09
ChEBI	CHEBI:30860
MDL Number	MFCD00002656
SMILES	CC(C(O)=O)C(O)=O
Synonym	methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7
IUPAC Name	2-methylpropanedioic acid
InChI Key	ZIYVHBGGAOATLY-UHFFFAOYSA-N
Molecular Formula	C4H6O4

Isopropylmalonic acid, 98+%

CAS: 601-79-6 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.14 MDL Number: MFCD00021717 InChI Key: DQEUFPARIOFOAI-UHFFFAOYSA-N Synonym: isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid PubChem CID: 69037 IUPAC Name: 2-propan-2-ylpropanedioic acid SMILES: CC(C)C(C(O)=O)C(O)=O

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PubChem CID	69037
CAS	601-79-6
Molecular Weight (g/mol)	146.14
MDL Number	MFCD00021717
SMILES	CC(C)C(C(O)=O)C(O)=O
Synonym	isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid
IUPAC Name	2-propan-2-ylpropanedioic acid
InChI Key	DQEUFPARIOFOAI-UHFFFAOYSA-N
Molecular Formula	C6H10O4

Malonic acid dihydrazide, 99%

CAS: 3815-86-9 Molecular Formula: C3H8N4O2 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00041268 InChI Key: PSIKPHJLTVSQFO-UHFFFAOYSA-N Synonym: malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine PubChem CID: 77433 IUPAC Name: propanedihydrazide SMILES: NNC(=O)CC(=O)NN

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PubChem CID	77433
CAS	3815-86-9
Molecular Weight (g/mol)	132.12
MDL Number	MFCD00041268
SMILES	NNC(=O)CC(=O)NN
Synonym	malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine
IUPAC Name	propanedihydrazide
InChI Key	PSIKPHJLTVSQFO-UHFFFAOYSA-N
Molecular Formula	C3H8N4O2

Malonic acid disodium salt, 99%

CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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PubChem CID	8865
CAS	141-95-7
Molecular Weight (g/mol)	148.025
ChEBI	CHEBI:62983
MDL Number	MFCD00002708
SMILES	C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt
IUPAC Name	disodium;propanedioate
InChI Key	PRWXGRGLHYDWPS-UHFFFAOYSA-L
Molecular Formula	C3H2Na2O4

Malonic acid, 99%, MP Biomedicals™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 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

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Specifications

PubChem CID	867
CAS	141-82-2
Molecular Weight (g/mol)	104.061
ChEBI	CHEBI:30794
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

3,5-Dioxocyclohexanecarboxylic Acid Ethyl Ester, TRC

CAS: 27513-35-5 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.19 Synonym: Ethyl 3,5-Dioxocyclohexanecarboxylate SMILES: CCOC(=O)C1CC(=O)CC(=O)C1

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CAS	27513-35-5
Molecular Weight (g/mol)	184.19
SMILES	CCOC(=O)C1CC(=O)CC(=O)C1
Synonym	Ethyl 3,5-Dioxocyclohexanecarboxylate
Molecular Formula	C9H12O4

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

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Specifications

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

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

Mono-Ethyl malonate, 95%

CAS: 1071-46-1 Molecular Formula: C₅H₈O₄ Molecular Weight (g/mol): 132.11 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

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Specifications

PubChem CID	70615
CAS	1071-46-1
Molecular Weight (g/mol)	132.11
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

Mono-benzyl malonate, 95%

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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

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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

Ethyl propionylacetate, 95%

CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

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PubChem CID	78656
CAS	4949-44-4
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009317
SMILES	CCC(=O)CC(=O)OCC
Synonym	ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate
IUPAC Name	ethyl 3-oxopentanoate
InChI Key	UDRCONFHWYGWFI-UHFFFAOYSA-N
Molecular Formula	C7H12O3

tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

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Specifications

PubChem CID	545853
CAS	40052-13-9
Molecular Weight (g/mol)	160.169
MDL Number	MFCD00191886
SMILES	CC(C)(C)OC(=O)CC(=O)O
Synonym	3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester
IUPAC Name	3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI Key	NGGGZUAEOKRHMA-UHFFFAOYSA-N
Molecular Formula	C7H12O4

Dicarbonyl Compounds

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