chempirical

Methyl β-acetylpyruvate

C6H8O4CAS 20577-61-1144.13 g/mol

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Properties

Molecular formula
C6H8O4
Molar mass
144.13 g/mol
Exact mass
144.0423 Da
Melting point
61.5–62.5 °C
Boiling point
93–97 °C (at NaN Torr)
logP
-0.29Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
20577-61-1
SMILES
COC(=O)C(=O)CC(C)=O
InChIKey
OMHOEQINEXASKE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3

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Names and synonyms

6 names
  • Pentanoic acid, 2,4-dioxo-, methyl ester
  • Valeric acid, 2,4-dioxo-, methyl ester
  • Methyl 3-acetylpyruvate
  • Methyl acetylpyruvate
  • Methyl 2,4-dioxopentanoate
  • 1-Methoxy-1,2,4-pentanetrione

Work with Methyl β-acetylpyruvate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2,4-dioxovalerate615-79-260 % similar Methyl acetoacetate105-45-354 % similar Dimethyl 2-oxoglutarate13192-04-648 % similar Acetylacetone123-54-646 % similar Dimethyl oxalate553-90-246 % similar Methyl pyruvate600-22-643 % similar Methyl levulinate624-45-342 % similar 2,4-Hexanedione3002-24-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-6 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-6 D-Lactide13076-17-0 Meldrum'S acid2033-24-1 Monoethyl fumarate2459-05-4 2-Carboxyethyl acrylate24615-84-7 2-(2-Propen-1-yl)propanedioic acid2583-25-7 L-Lactide homopolymer33135-50-1

Elsewhere

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