α-Ketobutyric acid

C₄H₆O₃CAS 600-18-0102.09 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₄H₆O₃
Molar mass: 102.09 g/mol
Exact mass: 102.0317 Da
Melting point: 33 °C
Boiling point: 74–78 °C (at 25 Torr)
logP: 0.05Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

600-18-0

SMILES

CCC(=O)C(=O)O

InChIKey

TYEYBOSBBBHJIV-UHFFFAOYSA-N

InChI

InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

Butanoic acid, 2-oxo-
Butyric acid, 2-oxo-
2-Oxobutanoic acid
Propionylformic acid
α-Oxobutyric acid
α-Oxo-n-butyric acid
2-Oxobutyric acid
2-Ketobutyric acid
α-Keto-n-Butyric acid
3-Methylpyruvic acid
2-Oxo-n-butyric acid
2-Ketobutanoic acid
NSC 60533
α-Oxobutanoic acid

Work with α-Ketobutyric acid

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

Alpha-ketovaleric acid1821-02-958 % similar 3,4-Hexanedione4437-51-858 % similar Bromopyruvic acid1113-59-350 % similar Alpha-ketoisocaproic acid816-66-050 % similar Oxaloacetic acid328-42-748 % similar Acetylpropionyl600-14-646 % similar Propionic acid79-09-443 % similar 3-Ethyl-2-hydroxy-2-cyclopenten-1-one21835-01-843 % similar

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

Same formula

Acetic anhydride108-24-7 Propylene carbonate108-32-7 Methyl (2R)-2-oxiranecarboxylate111058-32-3 3-Oxetanecarboxylic acid114012-41-8 (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-6 α-Hydroxy-γ-butyrolactone19444-84-9 Trimethylene carbonate2453-03-4 P-Dioxanone3041-16-5

Elsewhere

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