Carbonyl compounds
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3,5-Dimethylisoxazole-4-carboxaldehyde 98.0+%, TCI America™
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD02681977 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD02681977 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
2',3',4'-Trihydroxyacetophenone 98.0+%, TCI America™
CAS: 528-21-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002193 InChI Key: XIROXSOOOAZHLL-UHFFFAOYSA-N Synonym: gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy PubChem CID: 10706 IUPAC Name: 1-(2,3,4-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)O)O)O
| PubChem CID | 10706 |
|---|---|
| CAS | 528-21-2 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00002193 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)O)O)O |
| Synonym | gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy |
| IUPAC Name | 1-(2,3,4-trihydroxyphenyl)ethanone |
| InChI Key | XIROXSOOOAZHLL-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2-Benzoylacetanilide 98.0+%, TCI America™
CAS: 959-66-0 Molecular Formula: C15H13NO2 Molecular Weight (g/mol): 239.27 MDL Number: MFCD00003084 InChI Key: XRZDIHADHZSFBB-UHFFFAOYSA-N Synonym: 2-benzoylacetanilide,benzoylacetanilide,3-oxo-3-phenylpropionanilide,benzenepropanamide, .beta.-oxo-n-phenyl,acetamide,n-2-benzoylphenyl,3-oxo-3-phenyl-n-phenylpropanamide,alpha-benzoylacetanilide,benzoylacetoanilide,.alpha.-benzoylacetanilide,.alpha.-benzoylacetoanilide PubChem CID: 70398 IUPAC Name: 3-oxo-N,3-diphenylpropanamide SMILES: O=C(CC(=O)C1=CC=CC=C1)NC1=CC=CC=C1
| PubChem CID | 70398 |
|---|---|
| CAS | 959-66-0 |
| Molecular Weight (g/mol) | 239.27 |
| MDL Number | MFCD00003084 |
| SMILES | O=C(CC(=O)C1=CC=CC=C1)NC1=CC=CC=C1 |
| Synonym | 2-benzoylacetanilide,benzoylacetanilide,3-oxo-3-phenylpropionanilide,benzenepropanamide, .beta.-oxo-n-phenyl,acetamide,n-2-benzoylphenyl,3-oxo-3-phenyl-n-phenylpropanamide,alpha-benzoylacetanilide,benzoylacetoanilide,.alpha.-benzoylacetanilide,.alpha.-benzoylacetoanilide |
| IUPAC Name | 3-oxo-N,3-diphenylpropanamide |
| InChI Key | XRZDIHADHZSFBB-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO2 |
5-Acetyl-2-methoxypyridine 98.0+%, TCI America™
CAS: 213193-32-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD05664350 InChI Key: RYOQZXOVBJIUSX-UHFFFAOYSA-N Synonym: 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine PubChem CID: 10534837 IUPAC Name: 1-(6-methoxypyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(C=C1)OC
| PubChem CID | 10534837 |
|---|---|
| CAS | 213193-32-9 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD05664350 |
| SMILES | CC(=O)C1=CN=C(C=C1)OC |
| Synonym | 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine |
| IUPAC Name | 1-(6-methoxypyridin-3-yl)ethanone |
| InChI Key | RYOQZXOVBJIUSX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3-Methylpyrazole-4-carboxaldehyde 98.0+%, TCI America™
CAS: 112758-40-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01313822 InChI Key: NWDMGTFNIOCVDU-UHFFFAOYSA-N Synonym: 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole PubChem CID: 2760056 IUPAC Name: 5-methyl-1H-pyrazole-4-carbaldehyde SMILES: CC1=C(C=O)C=NN1
| PubChem CID | 2760056 |
|---|---|
| CAS | 112758-40-4 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01313822 |
| SMILES | CC1=C(C=O)C=NN1 |
| Synonym | 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole |
| IUPAC Name | 5-methyl-1H-pyrazole-4-carbaldehyde |
| InChI Key | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
1,1-Dichloropinacolin 98.0+%, TCI America™
CAS: 22591-21-5 Molecular Formula: C6H10Cl2O Molecular Weight (g/mol): 169.05 MDL Number: MFCD00069423 InChI Key: UDWZXMQIEHAAQT-UHFFFAOYSA-N Synonym: tert-Butyl Dichloromethyl Ketone, 1,1-Dichloro-3,3-dimethyl-2-butanone, 1,1-Dichloropinacolone PubChem CID: 31432 IUPAC Name: 1,1-dichloro-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)C(Cl)Cl
| PubChem CID | 31432 |
|---|---|
| CAS | 22591-21-5 |
| Molecular Weight (g/mol) | 169.05 |
| MDL Number | MFCD00069423 |
| SMILES | CC(C)(C)C(=O)C(Cl)Cl |
| Synonym | tert-Butyl Dichloromethyl Ketone, 1,1-Dichloro-3,3-dimethyl-2-butanone, 1,1-Dichloropinacolone |
| IUPAC Name | 1,1-dichloro-3,3-dimethylbutan-2-one |
| InChI Key | UDWZXMQIEHAAQT-UHFFFAOYSA-N |
| Molecular Formula | C6H10Cl2O |
6-Chloro-4-chromanone 98.0+%, TCI America™
CAS: 37674-72-9 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 InChI Key: LLTDYHFVIVSQPJ-UHFFFAOYSA-N Synonym: 6-chlorochroman-4-one,6-chloro-4-chromanone,4h-1-benzopyran-4-one, 6-chloro-2,3-dihydro,6-chloro chroman-4-one,6-chloro-2,3-dihydro-4h-chromen-4-one,6-chloro-2,3-dihydro-1-benzopyran-4-one,6-chloro-3,4-dihydro-2h-1-benzopyran-4-one,pubchem17931,6-chloro-chroman-4-one,acmc-1acq5 PubChem CID: 95273 IUPAC Name: 6-chloro-2,3-dihydrochromen-4-one SMILES: C1COC2=C(C1=O)C=C(C=C2)Cl
| PubChem CID | 95273 |
|---|---|
| CAS | 37674-72-9 |
| Molecular Weight (g/mol) | 182.603 |
| SMILES | C1COC2=C(C1=O)C=C(C=C2)Cl |
| Synonym | 6-chlorochroman-4-one,6-chloro-4-chromanone,4h-1-benzopyran-4-one, 6-chloro-2,3-dihydro,6-chloro chroman-4-one,6-chloro-2,3-dihydro-4h-chromen-4-one,6-chloro-2,3-dihydro-1-benzopyran-4-one,6-chloro-3,4-dihydro-2h-1-benzopyran-4-one,pubchem17931,6-chloro-chroman-4-one,acmc-1acq5 |
| IUPAC Name | 6-chloro-2,3-dihydrochromen-4-one |
| InChI Key | LLTDYHFVIVSQPJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO2 |
Diethyl Acetonylmalonate 95.0+%, TCI America™
CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
| PubChem CID | 12000252 |
|---|---|
| CAS | 23193-18-2 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00177949 |
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)OCC |
| Synonym | Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2-oxopropyl)propanedioate |
| InChI Key | KGZCSZOGMMZHKB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
1,4-Diaminoanthraquinone 97.0+%, TCI America™
CAS: 128-95-0 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.25 MDL Number: MFCD00001224 InChI Key: FBMQNRKSAWNXBT-UHFFFAOYSA-N Synonym: 1,4-diaminoanthraquinone,disperse violet 1,krisolamine,9,10-anthracenedione, 1,4-diamino,grasol violet r,seacyl violet r,acetate red violet r,1,4-diamino anthraquinone,setacyl violet r,oil violet r PubChem CID: 31420 IUPAC Name: 1,4-diamino-9,10-dihydroanthracene-9,10-dione SMILES: NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 31420 |
|---|---|
| CAS | 128-95-0 |
| Molecular Weight (g/mol) | 238.25 |
| MDL Number | MFCD00001224 |
| SMILES | NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O |
| Synonym | 1,4-diaminoanthraquinone,disperse violet 1,krisolamine,9,10-anthracenedione, 1,4-diamino,grasol violet r,seacyl violet r,acetate red violet r,1,4-diamino anthraquinone,setacyl violet r,oil violet r |
| IUPAC Name | 1,4-diamino-9,10-dihydroanthracene-9,10-dione |
| InChI Key | FBMQNRKSAWNXBT-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O2 |
2'-Hydroxy-4',5'-dimethylacetophenone 98.0+%, TCI America™
CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C
| PubChem CID | 118976 |
|---|---|
| CAS | 36436-65-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00002306 |
| SMILES | CC1=C(C=C(C(=C1)C(=O)C)O)C |
| IUPAC Name | 1-(2-hydroxy-4,5-dimethylphenyl)ethanone |
| InChI Key | YXVSURZEXVMUAM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2-Methoxyethyl Acetoacetate 95.0+%, TCI America™
CAS: 22502-03-0 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00009648 InChI Key: PLHCSZRZWOWUBW-UHFFFAOYSA-N Synonym: 2-methoxyethyl acetoacetate,2-methoxyethylacetoacetate,acetoacetic acid 2-methoxyethyl ester,butanoic acid, 3-oxo-, 2-methoxyethyl ester,methoxyethyl acetoacetate,acmc-1cs35,2-methoxyethyl-3-oxobutanoate,#,2-methoxy ethyl acetoacetate,2-methoxyethyl acetoacetate, lonza quality gc PubChem CID: 89734 IUPAC Name: 2-methoxyethyl 3-oxobutanoate SMILES: COCCOC(=O)CC(C)=O
| PubChem CID | 89734 |
|---|---|
| CAS | 22502-03-0 |
| Molecular Weight (g/mol) | 160.17 |
| MDL Number | MFCD00009648 |
| SMILES | COCCOC(=O)CC(C)=O |
| Synonym | 2-methoxyethyl acetoacetate,2-methoxyethylacetoacetate,acetoacetic acid 2-methoxyethyl ester,butanoic acid, 3-oxo-, 2-methoxyethyl ester,methoxyethyl acetoacetate,acmc-1cs35,2-methoxyethyl-3-oxobutanoate,#,2-methoxy ethyl acetoacetate,2-methoxyethyl acetoacetate, lonza quality gc |
| IUPAC Name | 2-methoxyethyl 3-oxobutanoate |
| InChI Key | PLHCSZRZWOWUBW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
2'-Chloro-4'-fluoroacetophenone 97.0+%, TCI America™
CAS: 700-35-6 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00042202 InChI Key: CSEMGLVHVZRXQF-UHFFFAOYSA-N Synonym: 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone PubChem CID: 2736507 IUPAC Name: 1-(2-chloro-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2736507 |
|---|---|
| CAS | 700-35-6 |
| Molecular Weight (g/mol) | 172.583 |
| MDL Number | MFCD00042202 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone |
| IUPAC Name | 1-(2-chloro-4-fluorophenyl)ethanone |
| InChI Key | CSEMGLVHVZRXQF-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
Magnesium 4-Nitrobenzyl Malonate Hydrate, TCI America™
CAS: 83972-01-4 Molecular Formula: C20H16MgN2O12 Molecular Weight (g/mol): 500.655 MDL Number: MFCD00060141 InChI Key: WAFDWKYNSTVECG-UHFFFAOYSA-L Synonym: Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt PubChem CID: 13338668 IUPAC Name: magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate SMILES: C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]
| PubChem CID | 13338668 |
|---|---|
| CAS | 83972-01-4 |
| Molecular Weight (g/mol) | 500.655 |
| MDL Number | MFCD00060141 |
| SMILES | C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2] |
| Synonym | Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt |
| IUPAC Name | magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate |
| InChI Key | WAFDWKYNSTVECG-UHFFFAOYSA-L |
| Molecular Formula | C20H16MgN2O12 |
4-Butyrylbiphenyl 99.0+%, TCI America™
CAS: 13211-01-3 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00022005 InChI Key: WOFNMZNJGZJHJO-UHFFFAOYSA-N PubChem CID: 83235 IUPAC Name: 1-(4-phenylphenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
| PubChem CID | 83235 |
|---|---|
| CAS | 13211-01-3 |
| Molecular Weight (g/mol) | 224.303 |
| MDL Number | MFCD00022005 |
| SMILES | CCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| IUPAC Name | 1-(4-phenylphenyl)butan-1-one |
| InChI Key | WOFNMZNJGZJHJO-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
3-Butyn-2-one 97.0+%, TCI America™
CAS: 1423-60-5 Molecular Formula: C4H4O Molecular Weight (g/mol): 68.08 MDL Number: MFCD00008775 InChI Key: XRGPFNGLRSIPSA-UHFFFAOYSA-N Synonym: 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch PubChem CID: 15018 ChEBI: CHEBI:48060 IUPAC Name: but-3-yn-2-one SMILES: CC(=O)C#C
| PubChem CID | 15018 |
|---|---|
| CAS | 1423-60-5 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:48060 |
| MDL Number | MFCD00008775 |
| SMILES | CC(=O)C#C |
| Synonym | 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch |
| IUPAC Name | but-3-yn-2-one |
| InChI Key | XRGPFNGLRSIPSA-UHFFFAOYSA-N |
| Molecular Formula | C4H4O |