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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.
Complex Ketones (4,386)
Complex Aldehydes (4,043)
Dicarbonyl Compounds (568)
Alpha beta-unsaturated carbonyl compounds (528)
Acyloins (72)

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931 – 945 of 6,664 results
931

2-(Boc-amino)pyridine-5-carboxaldehyde, 97%, Thermo Scientific Chemicals

CAS: 199296-40-7 Molecular Formula: C11H14N2O3 Molecular Weight (g/mol): 222.244 MDL Number: MFCD08064228 InChI Key: WZROBBWIJBBWQP-UHFFFAOYSA-N Synonym: tert-butyl 5-formylpyridin-2-yl carbamate,tert-butyl 5-formylpyridin-2-ylcarbamate,tert-butyl n-5-formylpyridin-2-yl carbamate,2-boc-amino pyridine-5-carboxaldehyde,5-formyl-pyridin-2-yl-carbamic acid tert-butyl ester,5-formylpyridin-2-yl carbamic acid tert butyl ester,2-boc-aminopyridine-5-aldehyde,2-tert-butoxycarbonylamino pyridine-5-carboxaldehyde,carbamicacid, n-5-formyl-2-pyridinyl-, 1,1-dimethylethyl ester,6-aminonicotinaldehyde, 6-boc protected PubChem CID: 22034247 IUPAC Name: tert-butyl N-(5-formylpyridin-2-yl)carbamate SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O

PubChem CID 22034247
CAS 199296-40-7
Molecular Weight (g/mol) 222.244
MDL Number MFCD08064228
SMILES CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O
Synonym tert-butyl 5-formylpyridin-2-yl carbamate,tert-butyl 5-formylpyridin-2-ylcarbamate,tert-butyl n-5-formylpyridin-2-yl carbamate,2-boc-amino pyridine-5-carboxaldehyde,5-formyl-pyridin-2-yl-carbamic acid tert-butyl ester,5-formylpyridin-2-yl carbamic acid tert butyl ester,2-boc-aminopyridine-5-aldehyde,2-tert-butoxycarbonylamino pyridine-5-carboxaldehyde,carbamicacid, n-5-formyl-2-pyridinyl-, 1,1-dimethylethyl ester,6-aminonicotinaldehyde, 6-boc protected
IUPAC Name tert-butyl N-(5-formylpyridin-2-yl)carbamate
InChI Key WZROBBWIJBBWQP-UHFFFAOYSA-N
Molecular Formula C11H14N2O3
932

3'-Aminoacetophenone, 97%

CAS: 99-03-6 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007796 InChI Key: CKQHAYFOPRIUOM-UHFFFAOYSA-N Synonym: 3'-aminoacetophenone,1-3-aminophenyl ethanone,m-aminoacetophenone,3-aminoacetophenone,3-acetylaniline,m-acetylaniline,ethanone, 1-3-aminophenyl,1-3-aminophenyl ethan-1-one,m-aminoacetylbenzene,acetophenone, 3'-amino PubChem CID: 7417 IUPAC Name: 1-(3-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC(N)=C1

PubChem CID 7417
CAS 99-03-6
Molecular Weight (g/mol) 135.17
MDL Number MFCD00007796
SMILES CC(=O)C1=CC=CC(N)=C1
Synonym 3'-aminoacetophenone,1-3-aminophenyl ethanone,m-aminoacetophenone,3-aminoacetophenone,3-acetylaniline,m-acetylaniline,ethanone, 1-3-aminophenyl,1-3-aminophenyl ethan-1-one,m-aminoacetylbenzene,acetophenone, 3'-amino
IUPAC Name 1-(3-aminophenyl)ethanone
InChI Key CKQHAYFOPRIUOM-UHFFFAOYSA-N
Molecular Formula C8H9NO
933

Methyl 4-acetylbenzoate, 99%

CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC

PubChem CID 137990
CAS 3609-53-8
Molecular Weight (g/mol) 178.187
MDL Number MFCD00216474
SMILES CC(=O)C1=CC=C(C=C1)C(=O)OC
Synonym benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b
IUPAC Name methyl 4-acetylbenzoate
InChI Key QNTSFZXGLAHYLC-UHFFFAOYSA-N
Molecular Formula C10H10O3
934

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 98+%

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 IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate 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
IUPAC Name dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
InChI Key MHKKFFHWMKEBDW-UHFFFAOYNA-N
Molecular Formula C10H12O6
935

2',3'-Difluoroacetophenone, 97%

CAS: 18355-80-1 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00061274 InChI Key: PQUXFUBNSYCQAL-UHFFFAOYSA-N Synonym: 2',3'-difluoroacetophenone,1-2,3-difluorophenyl ethanone,2,3-difluoroacetophenone,1-2,3-difluorophenyl ethan-1-one,ethanone, 1-2,3-difluorophenyl,1-acetyl-2,3-difluorobenzene,pubchem4211,acmc-209x0g,ksc184c5n,2',3'-difluoro acetophenone PubChem CID: 519550 SMILES: CC(=O)C1=CC=CC(F)=C1F

PubChem CID 519550
CAS 18355-80-1
Molecular Weight (g/mol) 156.13
MDL Number MFCD00061274
SMILES CC(=O)C1=CC=CC(F)=C1F
Synonym 2',3'-difluoroacetophenone,1-2,3-difluorophenyl ethanone,2,3-difluoroacetophenone,1-2,3-difluorophenyl ethan-1-one,ethanone, 1-2,3-difluorophenyl,1-acetyl-2,3-difluorobenzene,pubchem4211,acmc-209x0g,ksc184c5n,2',3'-difluoro acetophenone
InChI Key PQUXFUBNSYCQAL-UHFFFAOYSA-N
Molecular Formula C8H6F2O
936

2-Ethoxypyridine-3-carboxaldehyde, 97%

CAS: 885278-07-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD06804559 InChI Key: WHEFRNNNELKVRQ-UHFFFAOYSA-N Synonym: 2-ethoxynicotinaldehyde,2-ethoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-ethoxy,2-ethoxy-3-pyridinecarboxaldehyde,acmc-20ac3a,2-ethoxy-pyridine-3-carbaldehyde PubChem CID: 25067327 IUPAC Name: 2-ethoxypyridine-3-carbaldehyde SMILES: CCOC1=C(C=O)C=CC=N1

PubChem CID 25067327
CAS 885278-07-9
Molecular Weight (g/mol) 151.17
MDL Number MFCD06804559
SMILES CCOC1=C(C=O)C=CC=N1
Synonym 2-ethoxynicotinaldehyde,2-ethoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-ethoxy,2-ethoxy-3-pyridinecarboxaldehyde,acmc-20ac3a,2-ethoxy-pyridine-3-carbaldehyde
IUPAC Name 2-ethoxypyridine-3-carbaldehyde
InChI Key WHEFRNNNELKVRQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
937

3-(4-Methylbenzoyl)propionic acid, 98%

CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O

PubChem CID 244162
CAS 4619-20-9
Molecular Weight (g/mol) 192.214
MDL Number MFCD00020541
SMILES CC1=CC=C(C=C1)C(=O)CCC(=O)O
Synonym 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo
IUPAC Name 4-(4-methylphenyl)-4-oxobutanoic acid
InChI Key OEEUWZITKKSXAZ-UHFFFAOYSA-N
Molecular Formula C11H12O3
938

Tris(dibenzylideneacetone)dipalladium(0), Pd 21.5% min

CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1

PubChem CID 9811564
CAS 51364-51-3
Molecular Weight (g/mol) 915.73
MDL Number MFCD00013310
SMILES [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
Synonym tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium
IUPAC Name (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
InChI Key CYPYTURSJDMMMP-UHFFFAOYSA-N
Molecular Formula C51H42O3Pd2
939

2-Bromo-3-pyridinecarboxaldehyde, 96%

CAS: 128071-75-0 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186 MDL Number: MFCD04966945 InChI Key: GNFWMEFWZWXLIN-UHFFFAOYSA-N Synonym: 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde PubChem CID: 4714951 IUPAC Name: 2-bromopyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Br)C=O

PubChem CID 4714951
CAS 128071-75-0
Molecular Weight (g/mol) 186
MDL Number MFCD04966945
SMILES C1=CC(=C(N=C1)Br)C=O
Synonym 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde
IUPAC Name 2-bromopyridine-3-carbaldehyde
InChI Key GNFWMEFWZWXLIN-UHFFFAOYSA-N
Molecular Formula C6H4BrNO
940

3,3-Dimethylbutyraldehyde

CAS: 2987-16-8 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00042807 InChI Key: LTNUSYNQZJZUSY-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd PubChem CID: 76335 IUPAC Name: 3,3-dimethylbutanal SMILES: CC(C)(C)CC=O

PubChem CID 76335
CAS 2987-16-8
Molecular Weight (g/mol) 100.16
MDL Number MFCD00042807
SMILES CC(C)(C)CC=O
Synonym 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd
IUPAC Name 3,3-dimethylbutanal
InChI Key LTNUSYNQZJZUSY-UHFFFAOYSA-N
Molecular Formula C6H12O
941

Nonanophenone, 97%

CAS: 6008-36-2 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00048965 InChI Key: PFUPABFCHVRLLY-UHFFFAOYSA-N Synonym: nonanophenone,n-nonanophenone,n-octyl phenyl ketone,1-phenyl-1-nonanone,1-nonanone, 1-phenyl,1-phenyl-nonan-1-one,acmc-209mhy PubChem CID: 80108 IUPAC Name: 1-phenylnonan-1-one SMILES: CCCCCCCCC(=O)C1=CC=CC=C1

PubChem CID 80108
CAS 6008-36-2
Molecular Weight (g/mol) 218.34
MDL Number MFCD00048965
SMILES CCCCCCCCC(=O)C1=CC=CC=C1
Synonym nonanophenone,n-nonanophenone,n-octyl phenyl ketone,1-phenyl-1-nonanone,1-nonanone, 1-phenyl,1-phenyl-nonan-1-one,acmc-209mhy
IUPAC Name 1-phenylnonan-1-one
InChI Key PFUPABFCHVRLLY-UHFFFAOYSA-N
Molecular Formula C15H22O
942

2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)imidazole, 97%

CAS: 94944-70-4 Molecular Formula: C9H14N2O5 Molecular Weight (g/mol): 230.22 MDL Number: MFCD08752516 InChI Key: CQSIXFHVGKMLGQ-BWZBUEFSSA-N Synonym: 2-athbi,2-acetyl-4 5-tetrahydroxybutylimidazole,unii-hw195j55g1,thi,2-acetyl-5-tetrahydroxybutyl imidazole,2-acetyl-4-tetrahydroxybutylimidazole,ethanone, 1-4-1,2,3,4-tetrahydroxybutyl-1h-imidazol-2-yl-, 1r-1r*,2s*,3r*,2-acetyl-4 5-1,2,3,4-tetrahydroxybutyl-imidazole thi,1-5-1r,2s,3r-1,2,3,4-tetrahydroxybutyl-1h-imidazol-2-yl ethanone,2-acetyl-4-tetrahydroxybutyl imidazole; 1-5-1r,2s,3r-1,2,3,4-tetrahydroxybutyl-1h-imidazol-2-yl-ethanone PubChem CID: 108037 IUPAC Name: 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone SMILES: CC(=O)C1=NC=C(N1)C(C(C(CO)O)O)O

PubChem CID 108037
CAS 94944-70-4
Molecular Weight (g/mol) 230.22
MDL Number MFCD08752516
SMILES CC(=O)C1=NC=C(N1)C(C(C(CO)O)O)O
Synonym 2-athbi,2-acetyl-4 5-tetrahydroxybutylimidazole,unii-hw195j55g1,thi,2-acetyl-5-tetrahydroxybutyl imidazole,2-acetyl-4-tetrahydroxybutylimidazole,ethanone, 1-4-1,2,3,4-tetrahydroxybutyl-1h-imidazol-2-yl-, 1r-1r*,2s*,3r*,2-acetyl-4 5-1,2,3,4-tetrahydroxybutyl-imidazole thi,1-5-1r,2s,3r-1,2,3,4-tetrahydroxybutyl-1h-imidazol-2-yl ethanone,2-acetyl-4-tetrahydroxybutyl imidazole; 1-5-1r,2s,3r-1,2,3,4-tetrahydroxybutyl-1h-imidazol-2-yl-ethanone
IUPAC Name 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
InChI Key CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Molecular Formula C9H14N2O5
943

2-Methylindole-3-carboxaldehyde, 97+%, Thermo Scientific Chemicals

CAS: 5416-80-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00012077 InChI Key: CYZIVXOEJNAIBS-UHFFFAOYSA-N Synonym: 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j PubChem CID: 73166 IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C(C2=CC=CC=C2N1)C=O

PubChem CID 73166
CAS 5416-80-8
Molecular Weight (g/mol) 159.19
MDL Number MFCD00012077
SMILES CC1=C(C2=CC=CC=C2N1)C=O
Synonym 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j
IUPAC Name 2-methyl-1H-indole-3-carbaldehyde
InChI Key CYZIVXOEJNAIBS-UHFFFAOYSA-N
Molecular Formula C10H9NO
944

2-Bromo-1-[4-(2-furyl)phenyl]ethanone, Tech., Thermo Scientific™

CAS: 868755-47-9 Molecular Formula: C12H9BrO2 Molecular Weight (g/mol): 265.106 MDL Number: MFCD08435854 InChI Key: SONOLDBWXMKWPY-UHFFFAOYSA-N Synonym: 2-bromo-1-4-2-furyl phenyl ethanone,2-bromo-1-4-furan-2-yl phenyl ethanone,2-bromo-1-4-2-furyl phenyl ethan-1-one,ethanone,2-bromo-1-4-2-furanyl phenyl,2-bromo-1-4-furan-2-yl phenyl ethan-1-one PubChem CID: 18525721 IUPAC Name: 2-bromo-1-[4-(furan-2-yl)phenyl]ethanone SMILES: C1=COC(=C1)C2=CC=C(C=C2)C(=O)CBr

PubChem CID 18525721
CAS 868755-47-9
Molecular Weight (g/mol) 265.106
MDL Number MFCD08435854
SMILES C1=COC(=C1)C2=CC=C(C=C2)C(=O)CBr
Synonym 2-bromo-1-4-2-furyl phenyl ethanone,2-bromo-1-4-furan-2-yl phenyl ethanone,2-bromo-1-4-2-furyl phenyl ethan-1-one,ethanone,2-bromo-1-4-2-furanyl phenyl,2-bromo-1-4-furan-2-yl phenyl ethan-1-one
IUPAC Name 2-bromo-1-[4-(furan-2-yl)phenyl]ethanone
InChI Key SONOLDBWXMKWPY-UHFFFAOYSA-N
Molecular Formula C12H9BrO2
945

3-Acetylphenyl isothiocyanate, 97%

CAS: 3125-71-1 Molecular Formula: C9H7NOS Molecular Weight (g/mol): 177.221 MDL Number: MFCD00041081 InChI Key: RGANVWCPAAIVNN-UHFFFAOYSA-N Synonym: 3-acetylphenyl isothiocyanate,1-3-isothiocyanatophenyl ethanone,3-acetylphenylisothiocyanate,1-3-isothiocyanato-phenyl-ethanone,3-acetylbenzenisothiocyanate,acmc-20anak,3'-isothiocyanatoacetophenone,3-methylcarbonylphenyl isothiocyanate,1-3-isothiocyanatophenyl ethanone #,ethanone,1-3-isothiocyanatophenyl PubChem CID: 520515 IUPAC Name: 1-(3-isothiocyanatophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)N=C=S

PubChem CID 520515
CAS 3125-71-1
Molecular Weight (g/mol) 177.221
MDL Number MFCD00041081
SMILES CC(=O)C1=CC(=CC=C1)N=C=S
Synonym 3-acetylphenyl isothiocyanate,1-3-isothiocyanatophenyl ethanone,3-acetylphenylisothiocyanate,1-3-isothiocyanato-phenyl-ethanone,3-acetylbenzenisothiocyanate,acmc-20anak,3'-isothiocyanatoacetophenone,3-methylcarbonylphenyl isothiocyanate,1-3-isothiocyanatophenyl ethanone #,ethanone,1-3-isothiocyanatophenyl
IUPAC Name 1-(3-isothiocyanatophenyl)ethanone
InChI Key RGANVWCPAAIVNN-UHFFFAOYSA-N
Molecular Formula C9H7NOS