Molecule ID: 4398339

IUPAC Name: hexanoate

Description: The molecule is a short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). It has a role as a human metabolite and a plant metabolite. It is a short-chain fatty acid anion, a straight-chain saturated fatty acid anion and a fatty acid anion 6:0. It is a conjugate base of a hexanoic acid.

SMILES: CCCCCC(=O)[O-]

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

InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.6