
Carbonyl compounds





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trans-2-Decenal, 95%
CAS: 3913-81-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00014679 InChI Key: MMFCJPPRCYDLLZ-CMDGGOBGSA-N Synonym: trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e PubChem CID: 5283345 IUPAC Name: (2E)-dec-2-enal SMILES: CCCCCCC\C=C\C=O

PubChem CID | 5283345 |
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CAS | 3913-81-3 |
Molecular Weight (g/mol) | 154.25 |
MDL Number | MFCD00014679 |
SMILES | CCCCCCC\C=C\C=O |
Synonym | trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e |
IUPAC Name | (2E)-dec-2-enal |
InChI Key | MMFCJPPRCYDLLZ-CMDGGOBGSA-N |
Molecular Formula | C10H18O |
Benzyl 4-hydroxyphenyl ketone, 97%
CAS: 2491-32-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00002360 InChI Key: JBQTZLNCDIFCCO-UHFFFAOYSA-N Synonym: benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 PubChem CID: 75607 IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O

PubChem CID | 75607 |
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CAS | 2491-32-9 |
Molecular Weight (g/mol) | 212.25 |
MDL Number | MFCD00002360 |
SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O |
Synonym | benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 |
IUPAC Name | 1-(4-hydroxyphenyl)-2-phenylethanone |
InChI Key | JBQTZLNCDIFCCO-UHFFFAOYSA-N |
Molecular Formula | C14H12O2 |
Deoxybenzoin, 97%
CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethanone SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID | 9948 |
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CAS | 451-40-1 |
Molecular Weight (g/mol) | 196.25 |
MDL Number | MFCD00003081 |
SMILES | O=C(CC1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin |
IUPAC Name | 1,2-diphenylethanone |
InChI Key | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
Molecular Formula | C14H12O |
Vanillin, 99%
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O

PubChem CID | 1183 |
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CAS | 121-33-5 |
Molecular Weight (g/mol) | 152.15 |
ChEBI | CHEBI:18346 |
MDL Number | MFCD00006942,MFCD08702848 |
SMILES | COC1=CC(C=O)=CC=C1O |
Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
D-(-)-Fructose 99.0+%, TCI America™
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CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID | 5984 |
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CAS | 57-48-7 |
Molecular Weight (g/mol) | 180.156 |
ChEBI | CHEBI:48095 |
MDL Number | MFCD00148910 |
SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
Molecular Formula | C6H12O6 |
Furfural 98.0+%, TCI America™
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CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1

PubChem CID | 7362 |
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CAS | 98-01-1 |
Molecular Weight (g/mol) | 96.09 |
ChEBI | CHEBI:34768 |
MDL Number | MFCD00003229 |
SMILES | O=CC1=CC=CO1 |
Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
IUPAC Name | furan-2-carbaldehyde |
InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
Molecular Formula | C5H4O2 |
Acetophenone 98.5+%, TCI America™
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CAS: 98-86-2 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

PubChem CID | 7410 |
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CAS | 98-86-2 |
Molecular Weight (g/mol) | 120.151 |
ChEBI | CHEBI:27632 |
MDL Number | MFCD00008724 |
SMILES | CC(=O)C1=CC=CC=C1 |
Synonym | acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol |
IUPAC Name | 1-phenylethanone |
InChI Key | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
Molecular Formula | C8H8O |
4'-(Trifluoromethoxy)acetophenone, 98%, Thermo Scientific™
CAS: 85013-98-5 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042404 InChI Key: MOEXTBIPPMLEFX-UHFFFAOYSA-N Synonym: 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone PubChem CID: 522821 IUPAC Name: 1-[4-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(OC(F)(F)F)C=C1

PubChem CID | 522821 |
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CAS | 85013-98-5 |
Molecular Weight (g/mol) | 204.15 |
MDL Number | MFCD00042404 |
SMILES | CC(=O)C1=CC=C(OC(F)(F)F)C=C1 |
Synonym | 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone |
IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]ethanone |
InChI Key | MOEXTBIPPMLEFX-UHFFFAOYSA-N |
Molecular Formula | C9H7F3O2 |
3'-Hydroxyacetophenone, 99+%
CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O

PubChem CID | 8487 |
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CAS | 121-71-1 |
Molecular Weight (g/mol) | 136.15 |
MDL Number | MFCD00002298 |
SMILES | CC(=O)C1=CC(=CC=C1)O |
Synonym | 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol |
IUPAC Name | 1-(3-hydroxyphenyl)ethanone |
InChI Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
Molecular Formula | C8H8O2 |
Acetoin, 96%, dimer
CAS: 513-86-0 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00038696 InChI Key: DFMGATPNJMFDCR-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC1OC(C)(O)C(C)OC1(C)O

PubChem CID | 179 |
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CAS | 513-86-0 |
Molecular Weight (g/mol) | 176.21 |
ChEBI | CHEBI:15688 |
MDL Number | MFCD00038696 |
SMILES | CC1OC(C)(O)C(C)OC1(C)O |
Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
IUPAC Name | 3-hydroxybutan-2-one |
InChI Key | DFMGATPNJMFDCR-UHFFFAOYNA-N |
Molecular Formula | C8H16O4 |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 97%, Thermo Scientific Chemicals
CAS: 1620-98-0 MDL Number: MFCD00008826 InChI Key: DOZRDZLFLOODMB-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde PubChem CID: 73219 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O

PubChem CID | 73219 |
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CAS | 1620-98-0 |
MDL Number | MFCD00008826 |
SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
Synonym | 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde |
IUPAC Name | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
InChI Key | DOZRDZLFLOODMB-UHFFFAOYSA-N |
Ethyl butyrylacetate, 98%
CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

PubChem CID | 238498 |
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CAS | 3249-68-1 |
Molecular Weight (g/mol) | 158.20 |
ChEBI | CHEBI:18119 |
MDL Number | MFCD00009401 |
SMILES | CCCC(=O)CC(=O)OCC |
Synonym | ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 |
IUPAC Name | ethyl 3-oxohexanoate |
InChI Key | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
Molecular Formula | C8H14O3 |
Ethyl 4,4,4-trifluoroacetoacetate, 97%
CAS: 372-31-6 Molecular Formula: C6H7F3O3 Molecular Weight (g/mol): 184.11 MDL Number: MFCD00000424 InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester PubChem CID: 67793 IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(F)(F)F

PubChem CID | 67793 |
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CAS | 372-31-6 |
Molecular Weight (g/mol) | 184.11 |
MDL Number | MFCD00000424 |
SMILES | CCOC(=O)CC(=O)C(F)(F)F |
Synonym | ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester |
IUPAC Name | ethyl 4,4,4-trifluoro-3-oxobutanoate |
InChI Key | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
Molecular Formula | C6H7F3O3 |
2-Acetylbenzoic acid, 99%
CAS: 577-56-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002475 InChI Key: QDAWXRKTSATEOP-UHFFFAOYSA-N Synonym: o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid PubChem CID: 68474 IUPAC Name: 2-acetylbenzoic acid SMILES: CC(=O)C1=CC=CC=C1C(O)=O

PubChem CID | 68474 |
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CAS | 577-56-0 |
Molecular Weight (g/mol) | 164.16 |
MDL Number | MFCD00002475 |
SMILES | CC(=O)C1=CC=CC=C1C(O)=O |
Synonym | o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid |
IUPAC Name | 2-acetylbenzoic acid |
InChI Key | QDAWXRKTSATEOP-UHFFFAOYSA-N |
Molecular Formula | C9H8O3 |
3-Acetylpyridine, 98%
CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1

PubChem CID | 9589 |
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CAS | 350-03-8 |
Molecular Weight (g/mol) | 121.14 |
MDL Number | MFCD00006396 |
SMILES | CC(=O)C1=CN=CC=C1 |
Synonym | 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one |
IUPAC Name | 1-pyridin-3-ylethanone |
InChI Key | WEGYGNROSJDEIW-UHFFFAOYSA-N |
Molecular Formula | C7H7NO |