Carbonyl compounds
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5-Methylsalicylaldehyde 98.0+%, TCI America™
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CAS: 613-84-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00274297 InChI Key: ILEIUTCVWLYZOM-UHFFFAOYSA-N Synonym: 5-methylsalicylaldehyde,benzaldehyde, 2-hydroxy-5-methyl,2,5-cresotaldehyde,5-methylsalicylic aldehyde,2-hydroxy-5-methyl-benzaldehyde,5methylsalicylaldehyde,pubchem15680,5-methyl salicylaldehyde,4-hydroxy-m-tolualdehyde,acmc-1bh2k PubChem CID: 69184 IUPAC Name: 2-hydroxy-5-methylbenzaldehyde SMILES: CC1=CC=C(O)C(C=O)=C1
| PubChem CID | 69184 |
|---|---|
| CAS | 613-84-3 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00274297 |
| SMILES | CC1=CC=C(O)C(C=O)=C1 |
| Synonym | 5-methylsalicylaldehyde,benzaldehyde, 2-hydroxy-5-methyl,2,5-cresotaldehyde,5-methylsalicylic aldehyde,2-hydroxy-5-methyl-benzaldehyde,5methylsalicylaldehyde,pubchem15680,5-methyl salicylaldehyde,4-hydroxy-m-tolualdehyde,acmc-1bh2k |
| IUPAC Name | 2-hydroxy-5-methylbenzaldehyde |
| InChI Key | ILEIUTCVWLYZOM-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
5-Fluoroisatin 98.0+%, TCI America™
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CAS: 443-69-6 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.123 MDL Number: MFCD00022795 InChI Key: GKODDAXOSGGARJ-UHFFFAOYSA-N Synonym: 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione PubChem CID: 236566 IUPAC Name: 5-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2
| PubChem CID | 236566 |
|---|---|
| CAS | 443-69-6 |
| Molecular Weight (g/mol) | 165.123 |
| MDL Number | MFCD00022795 |
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
| Synonym | 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione |
| IUPAC Name | 5-fluoro-1H-indole-2,3-dione |
| InChI Key | GKODDAXOSGGARJ-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO2 |
3-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
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CAS: 1460-34-0 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00002582 InChI Key: JVQYSWDUAOAHFM-UHFFFAOYSA-N Synonym: 3-Methyl-2-oxopentanoic Acid PubChem CID: 47 ChEBI: CHEBI:35932 IUPAC Name: 3-methyl-2-oxopentanoic acid SMILES: CCC(C)C(=O)C(=O)O
| PubChem CID | 47 |
|---|---|
| CAS | 1460-34-0 |
| Molecular Weight (g/mol) | 130.143 |
| ChEBI | CHEBI:35932 |
| MDL Number | MFCD00002582 |
| SMILES | CCC(C)C(=O)C(=O)O |
| Synonym | 3-Methyl-2-oxopentanoic Acid |
| IUPAC Name | 3-methyl-2-oxopentanoic acid |
| InChI Key | JVQYSWDUAOAHFM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
2-Bromo-3-pentanone 95.0+%, TCI America™
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CAS: 815-52-1 Molecular Formula: C5H9BrO Molecular Weight (g/mol): 165.03 MDL Number: MFCD11036312 InChI Key: VUDTYIUNUSPULX-UHFFFAOYSA-N PubChem CID: 545092 IUPAC Name: 2-bromopentan-3-one SMILES: CCC(=O)C(C)Br
| PubChem CID | 545092 |
|---|---|
| CAS | 815-52-1 |
| Molecular Weight (g/mol) | 165.03 |
| MDL Number | MFCD11036312 |
| SMILES | CCC(=O)C(C)Br |
| IUPAC Name | 2-bromopentan-3-one |
| InChI Key | VUDTYIUNUSPULX-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO |
p-Anisil 98.0+%, TCI America™
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CAS: 1226-42-2 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00008405 InChI Key: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzil,anisil,p-anisil,1,2-bis 4-methoxyphenyl ethane-1,2-dione,bis 4-methoxyphenyl ethanedione,ethanedione, bis 4-methoxyphenyl,di-p-anisoyl,p,p'-dimethoxybenzil,1,2-ethanedione, 1,2-bis 4-methoxyphenyl,1,2-bis 4-methoxyphenyl-1,2-ethanedione PubChem CID: 71043 IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC
| PubChem CID | 71043 |
|---|---|
| CAS | 1226-42-2 |
| Molecular Weight (g/mol) | 270.284 |
| MDL Number | MFCD00008405 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC |
| Synonym | 4,4'-dimethoxybenzil,anisil,p-anisil,1,2-bis 4-methoxyphenyl ethane-1,2-dione,bis 4-methoxyphenyl ethanedione,ethanedione, bis 4-methoxyphenyl,di-p-anisoyl,p,p'-dimethoxybenzil,1,2-ethanedione, 1,2-bis 4-methoxyphenyl,1,2-bis 4-methoxyphenyl-1,2-ethanedione |
| IUPAC Name | 1,2-bis(4-methoxyphenyl)ethane-1,2-dione |
| InChI Key | YNANGXWUZWWFKX-UHFFFAOYSA-N |
| Molecular Formula | C16H14O4 |
Ethyl 2-Ethylacetoacetate 97.0+%, TCI America™
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CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC
| PubChem CID | 79065 |
|---|---|
| CAS | 607-97-6 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00039898 |
| SMILES | CCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate |
| IUPAC Name | ethyl 2-ethyl-3-oxobutanoate |
| InChI Key | OKANYBNORCUPKZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
3-Benzoylpropionic Acid 98.0+%, TCI America™
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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 |
6-Chloro-3-pyridinecarboxaldehyde 96.0+%, TCI America™
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CAS: 23100-12-1 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD03095223 InChI Key: AFWWKZCPPRPDQK-UHFFFAOYSA-N Synonym: 6-chloronicotinaldehyde,2-chloropyridine-5-carbaldehyde,2-chloropyridine-5-carboxaldehyde,6-chloropyridine-3-carboxaldehyde,2-chloro-5-formylpyridine,6-chloro-pyridine-3-carbaldehyde,6-chloro-3-pyridinecarboxaldehyde,2-chloro-5-pyridine carbaldehyde,6-chloro-pyridin-3-carbaldehyde,2-chloro-5-pyridinecarboxaldehyde PubChem CID: 2764053 IUPAC Name: 6-chloropyridine-3-carbaldehyde SMILES: C1=CC(=NC=C1C=O)Cl
| PubChem CID | 2764053 |
|---|---|
| CAS | 23100-12-1 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD03095223 |
| SMILES | C1=CC(=NC=C1C=O)Cl |
| Synonym | 6-chloronicotinaldehyde,2-chloropyridine-5-carbaldehyde,2-chloropyridine-5-carboxaldehyde,6-chloropyridine-3-carboxaldehyde,2-chloro-5-formylpyridine,6-chloro-pyridine-3-carbaldehyde,6-chloro-3-pyridinecarboxaldehyde,2-chloro-5-pyridine carbaldehyde,6-chloro-pyridin-3-carbaldehyde,2-chloro-5-pyridinecarboxaldehyde |
| IUPAC Name | 6-chloropyridine-3-carbaldehyde |
| InChI Key | AFWWKZCPPRPDQK-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
1,6-Diphenyl-1,6-hexanedione 98.0+%, TCI America™
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CAS: 3375-38-0 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00004761 InChI Key: VRBLNWVVFVBNRK-UHFFFAOYSA-N Synonym: 1,4-Dibenzoylbutane PubChem CID: 76903 IUPAC Name: 1,6-diphenylhexane-1,6-dione SMILES: C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2
| PubChem CID | 76903 |
|---|---|
| CAS | 3375-38-0 |
| Molecular Weight (g/mol) | 266.34 |
| MDL Number | MFCD00004761 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2 |
| Synonym | 1,4-Dibenzoylbutane |
| IUPAC Name | 1,6-diphenylhexane-1,6-dione |
| InChI Key | VRBLNWVVFVBNRK-UHFFFAOYSA-N |
| Molecular Formula | C18H18O2 |
2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione 98.0+%, TCI America™
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CAS: 1196107-73-9 Molecular Formula: C23H15BrO2 Molecular Weight (g/mol): 403.275 MDL Number: MFCD20275103 InChI Key: NREMKCAHBDRWFB-UHFFFAOYSA-N PubChem CID: 58175361 SMILES: CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C
| PubChem CID | 58175361 |
|---|---|
| CAS | 1196107-73-9 |
| Molecular Weight (g/mol) | 403.275 |
| MDL Number | MFCD20275103 |
| SMILES | CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C |
| InChI Key | NREMKCAHBDRWFB-UHFFFAOYSA-N |
| Molecular Formula | C23H15BrO2 |
4-(Trifluoromethoxy)benzaldehyde 97.0+%, TCI America™
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CAS: 659-28-9 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.121 InChI Key: XQNVDQZWOBPLQZ-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx PubChem CID: 69573 IUPAC Name: 4-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)(F)F
| PubChem CID | 69573 |
|---|---|
| CAS | 659-28-9 |
| Molecular Weight (g/mol) | 190.121 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx |
| IUPAC Name | 4-(trifluoromethoxy)benzaldehyde |
| InChI Key | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |
2-Acetylpyridine 99.0+%, TCI America™
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CAS: 1122-62-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006303 InChI Key: AJKVQEKCUACUMD-UHFFFAOYSA-N Synonym: 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone PubChem CID: 14286 IUPAC Name: 1-pyridin-2-ylethanone SMILES: CC(=O)C1=CC=CC=N1
| PubChem CID | 14286 |
|---|---|
| CAS | 1122-62-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006303 |
| SMILES | CC(=O)C1=CC=CC=N1 |
| Synonym | 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone |
| IUPAC Name | 1-pyridin-2-ylethanone |
| InChI Key | AJKVQEKCUACUMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
3'-Cyanoacetophenone 98.0+%, TCI America™
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CAS: 6136-68-1 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001806 InChI Key: SBCFGFDAZCTSRH-UHFFFAOYSA-N Synonym: m-cyanoacetophenone,3'-cyanoacetophenone,benzonitrile, 3-acetyl,3-cyanoacetophenone,3-acetyl-benzonitrile,unii-tsj72034p9,3-acetylbenzenecarbonitrile,m-acetylbenzonitrile,3-acetyl benzonitrile,pubchem12649 PubChem CID: 80222 IUPAC Name: 3-acetylbenzonitrile SMILES: CC(=O)C1=CC=CC(=C1)C#N
| PubChem CID | 80222 |
|---|---|
| CAS | 6136-68-1 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD00001806 |
| SMILES | CC(=O)C1=CC=CC(=C1)C#N |
| Synonym | m-cyanoacetophenone,3'-cyanoacetophenone,benzonitrile, 3-acetyl,3-cyanoacetophenone,3-acetyl-benzonitrile,unii-tsj72034p9,3-acetylbenzenecarbonitrile,m-acetylbenzonitrile,3-acetyl benzonitrile,pubchem12649 |
| IUPAC Name | 3-acetylbenzonitrile |
| InChI Key | SBCFGFDAZCTSRH-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2-Chloro-3,4-dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 5417-17-4 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 InChI Key: SAWHDJTZESXNMM-UHFFFAOYSA-N PubChem CID: 79445 IUPAC Name: 2-chloro-3,4-dimethoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)C=O)Cl)OC
| PubChem CID | 79445 |
|---|---|
| CAS | 5417-17-4 |
| Molecular Weight (g/mol) | 200.618 |
| SMILES | COC1=C(C(=C(C=C1)C=O)Cl)OC |
| IUPAC Name | 2-chloro-3,4-dimethoxybenzaldehyde |
| InChI Key | SAWHDJTZESXNMM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3 |
Methyl Malonyl Chloride 97.0+%, TCI America™
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CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonym: methyl malonyl chloride,methyl 3-chloro-3-oxopropionate,methyl chloroformylacetate,propanoic acid, 3-chloro-3-oxo-, methyl ester,methyl-3-chloro-3-oxopropionate,methyl-3-chlor-3-oxopropanoat,methyl chlorocarbonylacetate,carbomethoxy acetyl chloride,methyl chloroformyl acetate,methyl3-chloro-3-oxopropionate PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
| PubChem CID | 123460 |
|---|---|
| CAS | 37517-81-0 |
| Molecular Weight (g/mol) | 136.531 |
| MDL Number | MFCD00013657 |
| SMILES | COC(=O)CC(=O)Cl |
| Synonym | methyl malonyl chloride,methyl 3-chloro-3-oxopropionate,methyl chloroformylacetate,propanoic acid, 3-chloro-3-oxo-, methyl ester,methyl-3-chloro-3-oxopropionate,methyl-3-chlor-3-oxopropanoat,methyl chlorocarbonylacetate,carbomethoxy acetyl chloride,methyl chloroformyl acetate,methyl3-chloro-3-oxopropionate |
| IUPAC Name | methyl 3-chloro-3-oxopropanoate |
| InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |