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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Dicarbonyl Compounds (2)
Complex Aldehydes (55)
Complex Ketones (94)

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1 – 15 of 74 results
1

L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 6904
CAS 87-79-6
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:13172
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula C6H12O6
2
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Thermo Scientific Chemicals D(+)-Melibiose monohydrate, 99+%

CAS: 66009-10-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00198188 InChI Key: CHIDEFLSUMQFBY-UHFFFAOYNA-N Synonym: d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci PubChem CID: 71308738 IUPAC Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate SMILES: O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O

EDGE
PubChem CID 71308738
CAS 66009-10-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00198188
SMILES O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O
Synonym d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci
IUPAC Name (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate
InChI Key CHIDEFLSUMQFBY-UHFFFAOYNA-N
Molecular Formula C12H24O12
3

D-Psicose, 98%

CAS: 551-68-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00083478 InChI Key: BJHIKXHVCXFQLS-PUFIMZNGSA-N Synonym: erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose PubChem CID: 90008 ChEBI: CHEBI:27605 IUPAC Name: (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
PubChem CID 90008
CAS 551-68-8
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:27605
MDL Number MFCD00083478
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose
IUPAC Name (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-PUFIMZNGSA-N
Molecular Formula C6H12O6
4

Ethyl 2-nitrobenzoylacetate, 97%

CAS: 52119-39-8 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.21 MDL Number: MFCD03424821 InChI Key: OWZNCVIBJQPNEF-UHFFFAOYSA-N Synonym: ethyl 3-2-nitrophenyl-3-oxopropanoate,ethyl 2-nitrobenzoylacetate,acmc-1awhb,ethyl 3-2-nitrophenyl-3-oxo-propanoate,ethyl o-nitrobenzoylacetate,ethyl 2-o-nitrobenzoyl acetate,ethyl 2-2-nitrobenzoyl acetate,ethyl 2-o-nitrobenzoyl-acetate,ethyl 2-nitrobenzoyl acetate PubChem CID: 10561837 IUPAC Name: ethyl 3-(2-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]

PubChem CID 10561837
CAS 52119-39-8
Molecular Weight (g/mol) 237.21
MDL Number MFCD03424821
SMILES CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]
Synonym ethyl 3-2-nitrophenyl-3-oxopropanoate,ethyl 2-nitrobenzoylacetate,acmc-1awhb,ethyl 3-2-nitrophenyl-3-oxo-propanoate,ethyl o-nitrobenzoylacetate,ethyl 2-o-nitrobenzoyl acetate,ethyl 2-2-nitrobenzoyl acetate,ethyl 2-o-nitrobenzoyl-acetate,ethyl 2-nitrobenzoyl acetate
IUPAC Name ethyl 3-(2-nitrophenyl)-3-oxopropanoate
InChI Key OWZNCVIBJQPNEF-UHFFFAOYSA-N
Molecular Formula C11H11NO5
6

2',4',6'-Trihydroxyacetophenone, 98%

CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O

PubChem CID 68073
CAS 480-66-0
Molecular Weight (g/mol) 168.15
ChEBI CHEBI:64344
MDL Number MFCD00002287
SMILES CC(=O)C1=C(O)C=C(O)C=C1O
Synonym 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone
IUPAC Name 1-(2,4,6-trihydroxyphenyl)ethanone
InChI Key XLEYFDVVXLMULC-UHFFFAOYSA-N
Molecular Formula C8H8O4
7

Indole-3-carboxaldehyde, 97%

CAS: 487-89-8 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00005622 InChI Key: OLNJUISKUQQNIM-UHFFFAOYSA-N Synonym: indole-3-carboxaldehyde,3-formylindole,1h-indole-3-carboxaldehyde,indole-3-aldehyde,indole-3-carbaldehyde,indole-3-carboxyaldehyde,3-indolecarboxaldehyde,beta-indolylaldehyde,3-indolecarbaldehyde,indol-3-carboxaldehyde PubChem CID: 10256 ChEBI: CHEBI:28238 IUPAC Name: 1H-indole-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C(=CN2)C=O

PubChem CID 10256
CAS 487-89-8
Molecular Weight (g/mol) 145.16
ChEBI CHEBI:28238
MDL Number MFCD00005622
SMILES C1=CC=C2C(=C1)C(=CN2)C=O
Synonym indole-3-carboxaldehyde,3-formylindole,1h-indole-3-carboxaldehyde,indole-3-aldehyde,indole-3-carbaldehyde,indole-3-carboxyaldehyde,3-indolecarboxaldehyde,beta-indolylaldehyde,3-indolecarbaldehyde,indol-3-carboxaldehyde
IUPAC Name 1H-indole-3-carbaldehyde
InChI Key OLNJUISKUQQNIM-UHFFFAOYSA-N
Molecular Formula C9H7NO
8

Acetoacetamide, 97%

CAS: 5977-14-0 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N

PubChem CID 80077
CAS 5977-14-0
ChEBI CHEBI:28515
SMILES CC(=O)CC(=O)N
Synonym acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9
IUPAC Name 3-oxobutanamide
InChI Key GCPWJFKTWGFEHH-UHFFFAOYSA-N
10

Ethyl picolinoylacetate, 95%

CAS: 26510-52-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00094022 InChI Key: FQHXWZMJALFSJJ-UHFFFAOYSA-N Synonym: ethyl 3-oxo-3-pyridin-2-yl propanoate,ethyl picolinoylacetate,ethyl 3-oxo-3-2-pyridyl propionate,ethyl 3-oxo-3-2-pyridinyl propanoate,ethyl 3-oxo-3-2-pyridyl propanoate,pubchem11088,ethyl-2-pyridoyl acetate,d05hbz,ethyl 3-pyridinyl-3-oxopropionate,2-3-ethoxy-3-oxopropanoyl pyridine PubChem CID: 2736461 IUPAC Name: ethyl 3-oxo-3-pyridin-2-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=N1

PubChem CID 2736461
CAS 26510-52-1
Molecular Weight (g/mol) 193.20
MDL Number MFCD00094022
SMILES CCOC(=O)CC(=O)C1=CC=CC=N1
Synonym ethyl 3-oxo-3-pyridin-2-yl propanoate,ethyl picolinoylacetate,ethyl 3-oxo-3-2-pyridyl propionate,ethyl 3-oxo-3-2-pyridinyl propanoate,ethyl 3-oxo-3-2-pyridyl propanoate,pubchem11088,ethyl-2-pyridoyl acetate,d05hbz,ethyl 3-pyridinyl-3-oxopropionate,2-3-ethoxy-3-oxopropanoyl pyridine
IUPAC Name ethyl 3-oxo-3-pyridin-2-ylpropanoate
InChI Key FQHXWZMJALFSJJ-UHFFFAOYSA-N
Molecular Formula C10H11NO3
11

Ethyl isonicotinoylacetate, 95%

CAS: 26377-17-3 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00094021 InChI Key: PCJNYGPKMQQCPX-UHFFFAOYSA-N Synonym: ethyl isonicotinoylacetate,ethyl 3-oxo-3-pyridin-4-yl propanoate,ethyl 3-oxo-3-4-pyridyl propionate,ethyl 3-4-pyridyl-3-oxopropionate,3-oxo-3-pyridin-4-yl-propionic acid ethyl ester,ethyl 3-oxo-3-4-pyridinyl propanoate,ethylisonicotinoylacetate,ethyl-4-pyridoyl acetate,ethyl 3-oxo-3-4-pyridyl propanoate,4-pyridinepropanoic acid, b-oxo-, ethyl ester PubChem CID: 2735202 IUPAC Name: ethyl 3-oxo-3-pyridin-4-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=NC=C1

PubChem CID 2735202
CAS 26377-17-3
Molecular Weight (g/mol) 193.20
MDL Number MFCD00094021
SMILES CCOC(=O)CC(=O)C1=CC=NC=C1
Synonym ethyl isonicotinoylacetate,ethyl 3-oxo-3-pyridin-4-yl propanoate,ethyl 3-oxo-3-4-pyridyl propionate,ethyl 3-4-pyridyl-3-oxopropionate,3-oxo-3-pyridin-4-yl-propionic acid ethyl ester,ethyl 3-oxo-3-4-pyridinyl propanoate,ethylisonicotinoylacetate,ethyl-4-pyridoyl acetate,ethyl 3-oxo-3-4-pyridyl propanoate,4-pyridinepropanoic acid, b-oxo-, ethyl ester
IUPAC Name ethyl 3-oxo-3-pyridin-4-ylpropanoate
InChI Key PCJNYGPKMQQCPX-UHFFFAOYSA-N
Molecular Formula C10H11NO3
13
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3-Benzoylpropionic acid, 98%

CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1

PubChem CID 72871
CAS 2051-95-8
Molecular Weight (g/mol) 178.19
ChEBI CHEBI:64437
MDL Number MFCD00002792
SMILES OC(=O)CCC(=O)C1=CC=CC=C1
Synonym 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid
IUPAC Name 4-oxo-4-phenylbutanoic acid
InChI Key KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Molecular Formula C10H10O3
14

Ethyl benzoylacetate, 90%

CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1

PubChem CID 7170
CAS 94-02-0
Molecular Weight (g/mol) 192.21
MDL Number MFCD00009196
SMILES CCOC(=O)CC(=O)C1=CC=CC=C1
Synonym ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate
IUPAC Name ethyl 3-oxo-3-phenylpropanoate
InChI Key GKKZMYDNDDMXSE-UHFFFAOYSA-N
Molecular Formula C11H12O3
15

Methyl 3-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™

CAS: 93618-66-7 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216522 InChI Key: RPRMYRPHNDGZOY-UHFFFAOYSA-N Synonym: methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester PubChem CID: 735880 IUPAC Name: methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 735880
CAS 93618-66-7
Molecular Weight (g/mol) 246.19
MDL Number MFCD00216522
SMILES COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester
IUPAC Name methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
InChI Key RPRMYRPHNDGZOY-UHFFFAOYSA-N
Molecular Formula C11H9F3O3