Molecule ID: 137333836

IUPAC Name: (Z)-2-hydroxyoctadec-9-enoate

Description: The molecule is a 2-hydroxyoctadecenoate resulting from the deprotonation of the carboxy group of 2-hydroxyoleic acid; major species at pH 7.3. It is a conjugate base of a 2-hydroxyoleic acid.

SMILES: CCCCCCCC/C=C\CCCCCCC(O)C(=O)[O-]

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

InChI: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)/p-1/b10-9-

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 7.2