Molecule ID: 21919

IUPAC Name: 2,4-dioxopentanoic acid

Description: The molecule is a dioxo monocarboxylic acid that is pentanoic acid carrying two oxo groups at positions 2 and 4. It has a role as a bacterial metabolite. It is a dioxo monocarboxylic acid and a beta-diketone. It derives from a valeric acid. It is a conjugate acid of an acetylpyruvate.

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

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

InChI: InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: -0.5