Molecule ID: 6971017

IUPAC Name: 3-oxobutanoate

Description: The molecule is a 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group. It has a role as a human metabolite. It derives from a butyrate. It is a conjugate base of an acetoacetic acid.

SMILES: CC(=O)CC(=O)[O-]

SELFIES: [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 0.3