Molecule ID: 8094

IUPAC Name: heptanoic acid

Description: The molecule is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a medium-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a heptanoate.

SMILES: CCCCCCC(=O)O

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

InChI: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.5