Molecule ID: 150996

IUPAC Name: 2-methyl-3-oxobutanoic acid

Description: The molecule is a 3-oxo monocarboxylic acid that is acetoacetic acid which is substituted at position 2 by a methyl group. It derives from a butyric acid and an acetoacetic acid. It is a conjugate acid of a 2-methylacetoacetate.

SMILES: CC(=O)C(C)C(=O)O

SELFIES: [C][C][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.2