Molecule ID: 21871794

IUPAC Name: 3-hydroxyoctanoate

Description: The molecule is a 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxyoctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 3-hydroxy fatty acid anion and a hydroxyoctanoate. It is a conjugate base of a 3-hydroxyoctanoic acid.

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

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

InChI: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.1