Molecule ID: 164550

IUPAC Name: 2-oxobutanedioate

Description: The molecule is a C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a C4-dicarboxylate and an oxo dicarboxylic acid dianion. It derives from a succinate(2-). It is a conjugate base of an oxaloacetic acid.

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

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

InChI: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 0.7