Carbonyl compounds
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4'-Hydroxy-3'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one SMILES: COC1=CC(=CC=C1O)C(C)=O
| PubChem CID | 2214 |
|---|---|
| CAS | 498-02-2 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:2781 |
| MDL Number | MFCD00008747 |
| SMILES | COC1=CC(=CC=C1O)C(C)=O |
| Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one |
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Ethyl 3-Oxohexanoate 95.0+%, TCI America™
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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 |
|---|---|
| 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 |
6,8-Dichlorochromone-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 64481-10-3 Molecular Formula: C10H4Cl2O3 Molecular Weight (g/mol): 243.04 MDL Number: MFCD00051510 InChI Key: IHCCHRKNCOFDAJ-UHFFFAOYSA-N Synonym: 6,8-dichloro-3-formylchromone,6,8-dichloro-4-oxo-4h-chromene-3-carbaldehyde,6,8-dichlorochromone-3-carboxaldehyde,chembl85493,6,8-dichloro-4-oxo-4h-1-benzopyran-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6,8-dichloro-4-oxo,pubchem8676,6,8-dichlorochromon-3-aldehyde,6,8-dichloro-4-oxo-chromene-3-carbaldehyde,3-formyl-6,8-dichloro-4h-1-benzopyran-4-one PubChem CID: 522129 IUPAC Name: 6,8-dichloro-4-oxo-4H-chromene-3-carbaldehyde SMILES: ClC1=CC(Cl)=C2OC=C(C=O)C(=O)C2=C1
| PubChem CID | 522129 |
|---|---|
| CAS | 64481-10-3 |
| Molecular Weight (g/mol) | 243.04 |
| MDL Number | MFCD00051510 |
| SMILES | ClC1=CC(Cl)=C2OC=C(C=O)C(=O)C2=C1 |
| Synonym | 6,8-dichloro-3-formylchromone,6,8-dichloro-4-oxo-4h-chromene-3-carbaldehyde,6,8-dichlorochromone-3-carboxaldehyde,chembl85493,6,8-dichloro-4-oxo-4h-1-benzopyran-3-carboxaldehyde,4h-1-benzopyran-3-carboxaldehyde, 6,8-dichloro-4-oxo,pubchem8676,6,8-dichlorochromon-3-aldehyde,6,8-dichloro-4-oxo-chromene-3-carbaldehyde,3-formyl-6,8-dichloro-4h-1-benzopyran-4-one |
| IUPAC Name | 6,8-dichloro-4-oxo-4H-chromene-3-carbaldehyde |
| InChI Key | IHCCHRKNCOFDAJ-UHFFFAOYSA-N |
| Molecular Formula | C10H4Cl2O3 |
4'-Aminoacetophenone Hydrochloride 98.0+%, TCI America™
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CAS: 41784-08-1 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00060232 InChI Key: LCYIZBVMHJGJGP-UHFFFAOYSA-N PubChem CID: 23333831 IUPAC Name: 1-(4-aminophenyl)ethan-1-one hydrochloride SMILES: Cl.CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 23333831 |
|---|---|
| CAS | 41784-08-1 |
| Molecular Weight (g/mol) | 171.62 |
| MDL Number | MFCD00060232 |
| SMILES | Cl.CC(=O)C1=CC=C(N)C=C1 |
| IUPAC Name | 1-(4-aminophenyl)ethan-1-one hydrochloride |
| InChI Key | LCYIZBVMHJGJGP-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
4'-Aminooctanophenone 97.0+%, TCI America™
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CAS: 63884-78-6 Molecular Formula: C14H21NO Molecular Weight (g/mol): 219.33 MDL Number: MFCD01737717 InChI Key: IMQPGJKTCYTPEI-UHFFFAOYSA-N Synonym: 4-n-Octanoylaniline PubChem CID: 44965 IUPAC Name: 1-(4-aminophenyl)octan-1-one SMILES: CCCCCCCC(=O)C1=CC=C(N)C=C1
| PubChem CID | 44965 |
|---|---|
| CAS | 63884-78-6 |
| Molecular Weight (g/mol) | 219.33 |
| MDL Number | MFCD01737717 |
| SMILES | CCCCCCCC(=O)C1=CC=C(N)C=C1 |
| Synonym | 4-n-Octanoylaniline |
| IUPAC Name | 1-(4-aminophenyl)octan-1-one |
| InChI Key | IMQPGJKTCYTPEI-UHFFFAOYSA-N |
| Molecular Formula | C14H21NO |
Ethyl Trifluoropyruvate 98.0+%, TCI America™
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CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F
| PubChem CID | 2737239 |
|---|---|
| CAS | 13081-18-0 |
| Molecular Weight (g/mol) | 170.09 |
| MDL Number | MFCD00114935 |
| SMILES | CCOC(=O)C(=O)C(F)(F)F |
| Synonym | ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 |
| IUPAC Name | ethyl 3,3,3-trifluoro-2-oxopropanoate |
| InChI Key | KJHQVUNUOIEYSV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O3 |
5'-Bromo-2'-hydroxypropiophenone 98.0+%, TCI America™
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CAS: 17764-93-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00218577 InChI Key: NDXLYRKTHTZXRC-UHFFFAOYSA-N PubChem CID: 736409 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(Br)=CC=C1O
| PubChem CID | 736409 |
|---|---|
| CAS | 17764-93-1 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00218577 |
| SMILES | CCC(=O)C1=CC(Br)=CC=C1O |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
| InChI Key | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
6-Fluoro-4-chromanone 98.0+%, TCI America™
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CAS: 66892-34-0 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00038654 InChI Key: SWBBIJZMIGAZHW-UHFFFAOYSA-N Synonym: 6-fluorochroman-4-one,6-fluoro-4-chromanone,6-fluorochromanone,6-fluoro-2,3-dihydro-4h-1-benzopyran-4-one,6-fluorochromano-4-one,6-fluoro-3,4-dihydro-2h-1-benzopyran-4-one,6-fluoro-2,3-dihydro-4h-chromen-4-one,6-fluoro-4-oxochroman,6-fluoro-2,3-dihydro-1-benzopyran-4-one,4h-1-benzopyran-4-one, 6-fluoro-2,3-dihydro PubChem CID: 2733262 IUPAC Name: 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one SMILES: FC1=CC=C2OCCC(=O)C2=C1
| PubChem CID | 2733262 |
|---|---|
| CAS | 66892-34-0 |
| Molecular Weight (g/mol) | 166.15 |
| MDL Number | MFCD00038654 |
| SMILES | FC1=CC=C2OCCC(=O)C2=C1 |
| Synonym | 6-fluorochroman-4-one,6-fluoro-4-chromanone,6-fluorochromanone,6-fluoro-2,3-dihydro-4h-1-benzopyran-4-one,6-fluorochromano-4-one,6-fluoro-3,4-dihydro-2h-1-benzopyran-4-one,6-fluoro-2,3-dihydro-4h-chromen-4-one,6-fluoro-4-oxochroman,6-fluoro-2,3-dihydro-1-benzopyran-4-one,4h-1-benzopyran-4-one, 6-fluoro-2,3-dihydro |
| IUPAC Name | 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | SWBBIJZMIGAZHW-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO2 |
4'-Fluoro-3'-methylacetophenone 98.0+%, TCI America™
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CAS: 369-32-4 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD04972879 InChI Key: SMSVMBMJEYTUOZ-UHFFFAOYSA-N PubChem CID: 289328 IUPAC Name: 1-(4-fluoro-3-methylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(C)=C1
| PubChem CID | 289328 |
|---|---|
| CAS | 369-32-4 |
| Molecular Weight (g/mol) | 152.17 |
| MDL Number | MFCD04972879 |
| SMILES | CC(=O)C1=CC=C(F)C(C)=C1 |
| IUPAC Name | 1-(4-fluoro-3-methylphenyl)ethan-1-one |
| InChI Key | SMSVMBMJEYTUOZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
3-Bromo-4-ethoxybenzaldehyde 97.0+%, TCI America™
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CAS: 108373-05-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00672941 InChI Key: TZUUPGZANQRCHD-UHFFFAOYSA-N PubChem CID: 1494336 IUPAC Name: 3-bromo-4-ethoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)Br
| PubChem CID | 1494336 |
|---|---|
| CAS | 108373-05-3 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00672941 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)Br |
| IUPAC Name | 3-bromo-4-ethoxybenzaldehyde |
| InChI Key | TZUUPGZANQRCHD-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
3',5'-Dichloro-4'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 17044-70-1 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016421 InChI Key: FXSIZYWHUQEXPC-UHFFFAOYSA-N PubChem CID: 86920 IUPAC Name: 1-(3,5-dichloro-4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl
| PubChem CID | 86920 |
|---|---|
| CAS | 17044-70-1 |
| Molecular Weight (g/mol) | 205.034 |
| MDL Number | MFCD00016421 |
| SMILES | CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl |
| IUPAC Name | 1-(3,5-dichloro-4-hydroxyphenyl)ethanone |
| InChI Key | FXSIZYWHUQEXPC-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
4'-Methoxybutyrophenone 98.0+%, TCI America™
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CAS: 4160-51-4 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00027138 InChI Key: JLCDSZXBELPBRD-UHFFFAOYSA-N Synonym: 4'-methoxybutyrophenone,1-4-methoxyphenyl butan-1-one,p-methoxybutyrophenone,4-methoxybutyrophenone,1-butanone, 1-4-methoxyphenyl,butyrophenone, 4'-methoxy,1-4-methoxyphenyl-1-butanone,4-butyrylanisole,acmc-209jkw,4'-methoxy-butyrophenone PubChem CID: 77810 IUPAC Name: 1-(4-methoxyphenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(OC)C=C1
| PubChem CID | 77810 |
|---|---|
| CAS | 4160-51-4 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00027138 |
| SMILES | CCCC(=O)C1=CC=C(OC)C=C1 |
| Synonym | 4'-methoxybutyrophenone,1-4-methoxyphenyl butan-1-one,p-methoxybutyrophenone,4-methoxybutyrophenone,1-butanone, 1-4-methoxyphenyl,butyrophenone, 4'-methoxy,1-4-methoxyphenyl-1-butanone,4-butyrylanisole,acmc-209jkw,4'-methoxy-butyrophenone |
| IUPAC Name | 1-(4-methoxyphenyl)butan-1-one |
| InChI Key | JLCDSZXBELPBRD-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-(4-Bromophenoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 69240-56-8 Molecular Formula: C13H9BrO2 Molecular Weight (g/mol): 277.117 MDL Number: MFCD08276811 InChI Key: WMDDJOBNAOVSLP-UHFFFAOYSA-N Synonym: 4-4-bromophenoxy benzaldehyde,4-4-bromo-phenoxy benzaldehyde,4-4-bromo-phenoxy-benzaldehyde,acmc-20amwk PubChem CID: 10636240 IUPAC Name: 4-(4-bromophenoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Br
| PubChem CID | 10636240 |
|---|---|
| CAS | 69240-56-8 |
| Molecular Weight (g/mol) | 277.117 |
| MDL Number | MFCD08276811 |
| SMILES | C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Br |
| Synonym | 4-4-bromophenoxy benzaldehyde,4-4-bromo-phenoxy benzaldehyde,4-4-bromo-phenoxy-benzaldehyde,acmc-20amwk |
| IUPAC Name | 4-(4-bromophenoxy)benzaldehyde |
| InChI Key | WMDDJOBNAOVSLP-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrO2 |
Hexachloroacetone 98.0+%, TCI America™
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CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
Benzyl Methyl Malonate 96.0+%, TCI America™
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CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 1-benzyl 3-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 572135 |
|---|---|
| CAS | 52267-39-7 |
| Molecular Weight (g/mol) | 208.21 |
| MDL Number | MFCD00008461 |
| SMILES | COC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f |
| IUPAC Name | 1-benzyl 3-methyl propanedioate |
| InChI Key | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |