Molecule ID: 439945

IUPAC Name: 2-hydroxy-3-oxohexanedioic acid

Description: The molecule is an oxo dicarboxylic acid comprising adipic acid having the oxo group at the 3-position as well as a hydroxy substituent at the 2-position. It is an oxo dicarboxylic acid and a secondary alpha-hydroxy ketone. It derives from an adipic acid. It is a conjugate acid of a 2-hydroxy-3-oxoadipate(2-).

SMILES: O=C(O)CCC(=O)C(O)C(=O)O

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

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)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -1.5