Molecule ID: 9543101

IUPAC Name: 4-hydroxy-2-oxohexanoate

Description: The molecule is a medium-chain fatty acid anion comprising hexanoate substituted at C-2 and C-4 with oxo and hydroxy groups respectively. It is a 2-oxo monocarboxylic acid anion, a straight-chain saturated fatty acid anion, a medium-chain fatty acid anion, a hydroxy fatty acid anion and an oxo fatty acid anion. It derives from a hexanoate. It is a conjugate base of a 4-hydroxy-2-oxohexanoic acid.

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-1]

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

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 0.5