Molecule ID: 5459800

IUPAC Name: 3-oxohexanedioate

Description: The molecule is a dicarboxylic acid dianion resuting from deprotonation of both carboxy groups of 3-oxoadipic acid. It derives from an adipate(2-). It is a conjugate base of a 3-oxoadipic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 0.4