Molecule ID: 23615192

IUPAC Name: 2-oxohexanedioate

Description: The molecule is dianion of 2-oxoadipic acid arising from deprotonation of both carboxylic acid groups. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a dicarboxylic acid dianion and an oxo carboxylic acid anion. It is a conjugate base of a 2-oxoadipic acid.

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

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

InChI: InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)/p-2

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 0.8