Carbonyl compounds
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2,2,2-Trifluoro-3'-nitroacetophenone 98.0+%, TCI America™
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CAS: 657-15-8 Molecular Formula: C8H4F3NO3 Molecular Weight (g/mol): 219.119 MDL Number: MFCD00034541 InChI Key: QADCNGZPRUSTJL-UHFFFAOYSA-N PubChem CID: 69566 IUPAC Name: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F
| PubChem CID | 69566 |
|---|---|
| CAS | 657-15-8 |
| Molecular Weight (g/mol) | 219.119 |
| MDL Number | MFCD00034541 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone |
| InChI Key | QADCNGZPRUSTJL-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO3 |
3'-(Trifluoromethyl)acetophenone 97.0+%, TCI America™
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CAS: 349-76-8 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000391 InChI Key: ABXGMGUHGLQMAW-UHFFFAOYSA-N Synonym: 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone PubChem CID: 67682 IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)C(F)(F)F
| PubChem CID | 67682 |
|---|---|
| CAS | 349-76-8 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00000391 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Synonym | 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]ethanone |
| InChI Key | ABXGMGUHGLQMAW-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
2-(Difluoromethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 71653-64-0 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00042251 InChI Key: QPBNHDFPMRENBC-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzaldehyde,2-difluoromethoxy-benzaldehyde,o-difluoromethoxybenzaldehyde,2-difloromethoxybenzaldehyde,pubchem2906,acmc-209ojk,difluoromethoxybenzaldehyde,ksc356m9l,zerenex zx009675,benzaldehyde, difluoromethoxy PubChem CID: 2736984 IUPAC Name: 2-(difluoromethoxy)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)OC(F)F
| PubChem CID | 2736984 |
|---|---|
| CAS | 71653-64-0 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00042251 |
| SMILES | C1=CC=C(C(=C1)C=O)OC(F)F |
| Synonym | 2-difluoromethoxy benzaldehyde,2-difluoromethoxy-benzaldehyde,o-difluoromethoxybenzaldehyde,2-difloromethoxybenzaldehyde,pubchem2906,acmc-209ojk,difluoromethoxybenzaldehyde,ksc356m9l,zerenex zx009675,benzaldehyde, difluoromethoxy |
| IUPAC Name | 2-(difluoromethoxy)benzaldehyde |
| InChI Key | QPBNHDFPMRENBC-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
2-Oxoglutaric Acid 99.0+%, TCI America™
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CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
| PubChem CID | 51 |
|---|---|
| CAS | 328-50-7 |
| Molecular Weight (g/mol) | 146.098 |
| ChEBI | CHEBI:30915 |
| MDL Number | MFCD00004165 |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
| IUPAC Name | 2-oxopentanedioic acid |
| InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate 96.0+%, TCI America™
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CAS: 64987-08-2 Molecular Formula: C7H8N2O3S Molecular Weight (g/mol): 200.212 MDL Number: MFCD00010414 InChI Key: XNVRKLCQBZTGNA-UHFFFAOYSA-N Synonym: 2-(2-Amino-4-thiazolyl)-2-oxoacetic Acid Ethyl Ester PubChem CID: 4356513 IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CSC(=N1)N
| PubChem CID | 4356513 |
|---|---|
| CAS | 64987-08-2 |
| Molecular Weight (g/mol) | 200.212 |
| MDL Number | MFCD00010414 |
| SMILES | CCOC(=O)C(=O)C1=CSC(=N1)N |
| Synonym | 2-(2-Amino-4-thiazolyl)-2-oxoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
| InChI Key | XNVRKLCQBZTGNA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3S |
Dibutyl Malonate 99.0+%, TCI America™
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CAS: 1190-39-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00053795 InChI Key: NFKGQHYUYGYHIS-UHFFFAOYSA-N Synonym: Malonic Acid Dibutyl Ester PubChem CID: 136925 IUPAC Name: 1,3-dibutyl propanedioate SMILES: CCCCOC(=O)CC(=O)OCCCC
| PubChem CID | 136925 |
|---|---|
| CAS | 1190-39-2 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00053795 |
| SMILES | CCCCOC(=O)CC(=O)OCCCC |
| Synonym | Malonic Acid Dibutyl Ester |
| IUPAC Name | 1,3-dibutyl propanedioate |
| InChI Key | NFKGQHYUYGYHIS-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
4'-Hydroxy-2'-methylacetophenone 98.0+%, TCI America™
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CAS: 875-59-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002303 InChI Key: IAMNVCJECQWBLZ-UHFFFAOYSA-N Synonym: 4'-hydroxy-2'-methylacetophenone,1-4-hydroxy-2-methylphenyl ethanone,4-hydroxy-2-methylacetophenone,2-methyl-4-hydroxyacetophenone,ethanone, 1-4-hydroxy-2-methylphenyl,3-methyl-4-acetylphenol,1-4-hydroxy-2-methylphenyl ethan-1-one,1-acetyl-4-hydroxy-2-methylbenzene,ethanone,1-4-hydroxy-2-methylphenyl,2'-methyl-4'-hydroxyacetophenone PubChem CID: 70133 ChEBI: CHEBI:87314 IUPAC Name: 1-(4-hydroxy-2-methylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C=C1C
| PubChem CID | 70133 |
|---|---|
| CAS | 875-59-2 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:87314 |
| MDL Number | MFCD00002303 |
| SMILES | CC(=O)C1=CC=C(O)C=C1C |
| Synonym | 4'-hydroxy-2'-methylacetophenone,1-4-hydroxy-2-methylphenyl ethanone,4-hydroxy-2-methylacetophenone,2-methyl-4-hydroxyacetophenone,ethanone, 1-4-hydroxy-2-methylphenyl,3-methyl-4-acetylphenol,1-4-hydroxy-2-methylphenyl ethan-1-one,1-acetyl-4-hydroxy-2-methylbenzene,ethanone,1-4-hydroxy-2-methylphenyl,2'-methyl-4'-hydroxyacetophenone |
| IUPAC Name | 1-(4-hydroxy-2-methylphenyl)ethan-1-one |
| InChI Key | IAMNVCJECQWBLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Diethyl Phenylmalonate 97.0+%, TCI America™
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CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
| PubChem CID | 66514 |
|---|---|
| CAS | 83-13-6 |
| Molecular Weight (g/mol) | 236.267 |
| MDL Number | MFCD00009144 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate |
| IUPAC Name | diethyl 2-phenylpropanedioate |
| InChI Key | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
| Molecular Formula | C13H16O4 |
2,6-Pyridinedicarboxaldehyde 98.0+%, TCI America™
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CAS: 5431-44-7 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00010103 InChI Key: PMWXGSWIOOVHEQ-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxaldehyde,2,6-diformylpyridine,2,6-pyridine dialdehyde,2,6-pyridinedicarbaldehyde,pubchem22285,acmc-1ap0d,pyda72,2,6-pyridinedicarboxadehyde,2,6-pyridine dicarboxaldehyde,2,6-pyridinedicarbaldehyde # PubChem CID: 79485 IUPAC Name: pyridine-2,6-dicarbaldehyde SMILES: C1=CC(=NC(=C1)C=O)C=O
| PubChem CID | 79485 |
|---|---|
| CAS | 5431-44-7 |
| Molecular Weight (g/mol) | 135.122 |
| MDL Number | MFCD00010103 |
| SMILES | C1=CC(=NC(=C1)C=O)C=O |
| Synonym | 2,6-pyridinedicarboxaldehyde,2,6-diformylpyridine,2,6-pyridine dialdehyde,2,6-pyridinedicarbaldehyde,pubchem22285,acmc-1ap0d,pyda72,2,6-pyridinedicarboxadehyde,2,6-pyridine dicarboxaldehyde,2,6-pyridinedicarbaldehyde # |
| IUPAC Name | pyridine-2,6-dicarbaldehyde |
| InChI Key | PMWXGSWIOOVHEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
Ethyl (2-Methylbenzoyl)acetate 98.0+%, TCI America™
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CAS: 51725-82-7 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD03424817 InChI Key: UNULPFKXRJPSCO-UHFFFAOYSA-N Synonym: (2-Methylbenzoyl)acetic Acid Ethyl Ester, Ethyl 3-Oxo-3-(o-tolyl)propionate, 3-Oxo-3-(o-tolyl)propionic Acid Ethyl Ester PubChem CID: 2760276 IUPAC Name: ethyl 3-(2-methylphenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1C
| PubChem CID | 2760276 |
|---|---|
| CAS | 51725-82-7 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD03424817 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1C |
| Synonym | (2-Methylbenzoyl)acetic Acid Ethyl Ester, Ethyl 3-Oxo-3-(o-tolyl)propionate, 3-Oxo-3-(o-tolyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(2-methylphenyl)-3-oxopropanoate |
| InChI Key | UNULPFKXRJPSCO-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
Nonanophenone 97.0+%, TCI America™
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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 |
3-(Dicyanomethylidene)indan-1-one 98.0+%, TCI America™
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CAS: 1080-74-6 Molecular Formula: C12H6N2O Molecular Weight (g/mol): 194.19 MDL Number: MFCD00143117 InChI Key: QNVKZKOSAXYVFZ-UHFFFAOYSA-N PubChem CID: 3293617 IUPAC Name: 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile SMILES: O=C1CC(=C(C#N)C#N)C2=CC=CC=C12
| PubChem CID | 3293617 |
|---|---|
| CAS | 1080-74-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00143117 |
| SMILES | O=C1CC(=C(C#N)C#N)C2=CC=CC=C12 |
| IUPAC Name | 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile |
| InChI Key | QNVKZKOSAXYVFZ-UHFFFAOYSA-N |
| Molecular Formula | C12H6N2O |
4'-Fluoro-3'-(trifluoromethyl)acetophenone 97.0+%, TCI America™
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CAS: 208173-24-4 Molecular Formula: C9H6F4O Molecular Weight (g/mol): 206.14 MDL Number: MFCD00061252 InChI Key: SYFHRXQPXHETEF-UHFFFAOYSA-N Synonym: 4'-fluoro-3'-trifluoromethyl acetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethanone,4-fluoro-3-trifluoromethyl acetophenone,4'-fluoro-3'-trifluoromethylacetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethan-1-one,5-acetyl-2-fluorobenzotrifluoride,ethanone, 1-4-fluoro-3-trifluoromethyl phenyl,1-acetyl-4-fluoro-3-trifluoromethyl benzene,pubchem4321 PubChem CID: 605678 IUPAC Name: 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(=C1)C(F)(F)F
| PubChem CID | 605678 |
|---|---|
| CAS | 208173-24-4 |
| Molecular Weight (g/mol) | 206.14 |
| MDL Number | MFCD00061252 |
| SMILES | CC(=O)C1=CC=C(F)C(=C1)C(F)(F)F |
| Synonym | 4'-fluoro-3'-trifluoromethyl acetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethanone,4-fluoro-3-trifluoromethyl acetophenone,4'-fluoro-3'-trifluoromethylacetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethan-1-one,5-acetyl-2-fluorobenzotrifluoride,ethanone, 1-4-fluoro-3-trifluoromethyl phenyl,1-acetyl-4-fluoro-3-trifluoromethyl benzene,pubchem4321 |
| IUPAC Name | 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one |
| InChI Key | SYFHRXQPXHETEF-UHFFFAOYSA-N |
| Molecular Formula | C9H6F4O |
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 |
3-(4-Methoxybenzoyl)propionic Acid 98.0+%, TCI America™
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CAS: 3153-44-4 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00002795 InChI Key: OMTDIBZSUZNVJK-UHFFFAOYSA-N Synonym: 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u PubChem CID: 76613 IUPAC Name: 4-(4-methoxyphenyl)-4-oxobutanoic acid SMILES: COC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 76613 |
|---|---|
| CAS | 3153-44-4 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00002795 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u |
| IUPAC Name | 4-(4-methoxyphenyl)-4-oxobutanoic acid |
| InChI Key | OMTDIBZSUZNVJK-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |