Molecule ID: 21145045

IUPAC Name: 2-hydroxy-3-oxohexanedioate

Description: The molecule is dicarboxylate anion of 2-hydroxy-3-oxoadipic acid; major species at pH 7.3. It is a conjugate base of a 2-hydroxy-3-oxoadipic acid.

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

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

InChI: InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -0.2