Molecule ID: 441164

IUPAC Name: 4-hydroxy-2-oxohexanoic acid

Description: The molecule is a hydroxy- and oxo- fatty acid comprising hexanoic acid substituted at C-2 and C-4 with oxo and hydroxy groups respectively. It is a 2-oxo monocarboxylic acid, a 4-hydroxy monocarboxylic acid, an oxo fatty acid and a hydroxy fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 4-hydroxy-2-oxohexanoate.

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

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

InChI: InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.1