Molecule ID: 6419736

IUPAC Name: 5-oxohexanoate

Description: The molecule is an oxo fatty acid anion that is the conjugate base of 5-oxohexanoic acid, arising from deprotonation of the carboxy group. It is a 5-oxo monocarboxylic acid anion, a medium-chain fatty acid anion and an oxo fatty acid anion. It derives from a hexanoate. It is a conjugate base of a 5-oxohexanoic acid.

SMILES: CC(=O)CCCC(=O)[O-]

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

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

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 0.4