Molecule ID: 6419709

IUPAC Name: 2-oxohexanoate

Description: The molecule is a medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid. It is a 2-oxo monocarboxylic acid anion and an oxo fatty acid anion. It derives from a hexanoate. It is a conjugate base of a 2-oxohexanoic acid.

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

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

InChI: InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.7