
Carbonyl compounds





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tert-Butyl acetoacetate, 97%
CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C
PubChem CID | 15538 |
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CAS | 1694-31-1 |
Molecular Weight (g/mol) | 158.197 |
MDL Number | MFCD00008811 |
SMILES | CC(=O)CC(=O)OC(C)(C)C |
Synonym | tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate |
IUPAC Name | tert-butyl 3-oxobutanoate |
InChI Key | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
Molecular Formula | C8H14O3 |
Pyruvic acid, 98%, extra pure
CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O
PubChem CID | 1060 |
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CAS | 127-17-3 |
Molecular Weight (g/mol) | 88.06 |
ChEBI | CHEBI:32816 |
MDL Number | MFCD00002585 |
SMILES | CC(=O)C(O)=O |
Synonym | pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure |
IUPAC Name | 2-oxopropanoic acid |
InChI Key | LCTONWCANYUPML-UHFFFAOYSA-N |
Molecular Formula | C3H4O3 |
Valeraldehyde, 97%
CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
PubChem CID | 8063 |
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CAS | 110-62-3 |
Molecular Weight (g/mol) | 86.13 |
ChEBI | CHEBI:84069 |
MDL Number | MFCD00007026 |
SMILES | CCCCC=O |
Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
IUPAC Name | pentanal |
InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
Molecular Formula | C5H10O |
2,6-Dichloroindophenol Sodium Salt , MP Biomedicals, LLC
CAS: 620-45-1 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,unii-kad7q8xo1y,2,6-dichloroindophenol sodium,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzen-1-olate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
PubChem CID | 23697355 |
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CAS | 620-45-1 |
Molecular Weight (g/mol) | 290.07 |
ChEBI | CHEBI:948 |
MDL Number | MFCD00150014 |
SMILES | [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1 |
Synonym | 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,unii-kad7q8xo1y,2,6-dichloroindophenol sodium,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt |
IUPAC Name | sodium 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzen-1-olate |
InChI Key | FHLDWQLHDYCXKI-UHFFFAOYSA-M |
Molecular Formula | C12H6Cl2NNaO2 |
4-Methyl-2-oxovaleric acid, 94%
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 SMILES: [Na+].CC(C)CC(=O)C([O-])=O
PubChem CID | 70 |
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CAS | 816-66-0 |
Molecular Weight (g/mol) | 152.13 |
ChEBI | CHEBI:48430 |
MDL Number | MFCD00066204 |
SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
Molecular Formula | C6H9NaO3 |
Zirconium(IV) 2,4-pentanedionate, Thermo Scientific Chemicals
CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: 4-hydroxypent-3-en-2-one;zirconium SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
PubChem CID | 50912253 |
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CAS | 17501-44-9 |
Molecular Weight (g/mol) | 487.66 |
MDL Number | MFCD00000036 |
SMILES | [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
Synonym | 4-hydroxypent-3-en-2-one; zirconium |
IUPAC Name | 4-hydroxypent-3-en-2-one;zirconium |
InChI Key | DFPGFWYWSAYLCW-UHFFFAOYSA-N |
Molecular Formula | C20H28O8Zr |
2'-Aminoacetophenone, 97%
CAS: 551-93-9 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007717 InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N Synonym: 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl PubChem CID: 11086 IUPAC Name: 1-(2-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1N
PubChem CID | 11086 |
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CAS | 551-93-9 |
Molecular Weight (g/mol) | 135.17 |
MDL Number | MFCD00007717 |
SMILES | CC(=O)C1=CC=CC=C1N |
Synonym | 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl |
IUPAC Name | 1-(2-aminophenyl)ethanone |
InChI Key | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
Molecular Formula | C8H9NO |
Acetone-1,3-dicarboxylic acid, 97%
CAS: 542-05-2 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O
PubChem CID | 68328 |
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CAS | 542-05-2 |
Molecular Weight (g/mol) | 146.098 |
MDL Number | MFCD00002711 |
SMILES | C(C(=O)CC(=O)O)C(=O)O |
Synonym | 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure |
IUPAC Name | 3-oxopentanedioic acid |
InChI Key | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
Molecular Formula | C5H6O5 |
Dimethyl malonate, 98+%
CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC
PubChem CID | 7943 |
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CAS | 108-59-8 |
Molecular Weight (g/mol) | 132.115 |
MDL Number | MFCD00008460 |
SMILES | COC(=O)CC(=O)OC |
Synonym | dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester |
IUPAC Name | dimethyl propanedioate |
InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
Molecular Formula | C5H8O4 |
Vanadyl(IV) acetylacetonate, 99%
CAS: 3153-26-2 Molecular Formula: C10H14O5V Molecular Weight (g/mol): 265.16 MDL Number: MFCD00000032 InChI Key: JFHJZWAQYMGNBE-SUKNRPLKSA-L Synonym: vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide PubChem CID: 131674261 IUPAC Name: (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate SMILES: O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
PubChem CID | 131674261 |
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CAS | 3153-26-2 |
Molecular Weight (g/mol) | 265.16 |
MDL Number | MFCD00000032 |
SMILES | O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
Synonym | vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide |
IUPAC Name | (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate |
InChI Key | JFHJZWAQYMGNBE-SUKNRPLKSA-L |
Molecular Formula | C10H14O5V |
2'-Methoxyacetophenone, 99%
CAS: 579-74-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008725 InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N Synonym: 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone PubChem CID: 68481 IUPAC Name: 1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(C)=O
PubChem CID | 68481 |
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CAS | 579-74-8 |
Molecular Weight (g/mol) | 150.18 |
MDL Number | MFCD00008725 |
SMILES | COC1=CC=CC=C1C(C)=O |
Synonym | 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone |
IUPAC Name | 1-(2-methoxyphenyl)ethanone |
InChI Key | DWPLEOPKBWNPQV-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
5'-Bromo-2'-hydroxyacetophenone, 98%
CAS: 1450-75-5 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.04 MDL Number: MFCD00191850 InChI Key: HQCCNFFIOWYINW-UHFFFAOYSA-N Synonym: 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon PubChem CID: 95991 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Br)O
PubChem CID | 95991 |
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CAS | 1450-75-5 |
Molecular Weight (g/mol) | 215.04 |
MDL Number | MFCD00191850 |
SMILES | CC(=O)C1=C(C=CC(=C1)Br)O |
Synonym | 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon |
IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)ethanone |
InChI Key | HQCCNFFIOWYINW-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO2 |
Benzil, 98%
CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 8651 |
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CAS | 134-81-6 |
Molecular Weight (g/mol) | 210.23 |
ChEBI | CHEBI:51507 |
MDL Number | MFCD00003080 |
SMILES | O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon |
IUPAC Name | 1,2-diphenylethane-1,2-dione |
InChI Key | WURBFLDFSFBTLW-UHFFFAOYSA-N |
Molecular Formula | C14H10O2 |
1-Indanone, 99+%
CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21
PubChem CID | 6735 |
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CAS | 83-33-0 |
Molecular Weight (g/mol) | 132.16 |
ChEBI | CHEBI:17404 |
SMILES | C1CC(=O)C2=CC=CC=C21 |
Synonym | 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone |
IUPAC Name | 2,3-dihydroinden-1-one |
InChI Key | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
Molecular Formula | C9H8O |
4-Carboxybenzaldehyde, 98%
CAS: 619-66-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00006951 InChI Key: GOUHYARYYWKXHS-UHFFFAOYSA-N Synonym: 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e PubChem CID: 12088 IUPAC Name: 4-formylbenzoic acid SMILES: C1=CC(=CC=C1C=O)C(=O)O
PubChem CID | 12088 |
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CAS | 619-66-9 |
Molecular Weight (g/mol) | 150.133 |
MDL Number | MFCD00006951 |
SMILES | C1=CC(=CC=C1C=O)C(=O)O |
Synonym | 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e |
IUPAC Name | 4-formylbenzoic acid |
InChI Key | GOUHYARYYWKXHS-UHFFFAOYSA-N |
Molecular Formula | C8H6O3 |