Molecule ID: 54746220

IUPAC Name: 2-carboxy-5-hydroxy-3-pentylphenolate

Description: The molecule is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of olivetolic acid. The major species at pH 7.3. It is a conjugate base of an olivetolic acid.

SMILES: CCCCCc1cc([O-])cc(O)c1C(=O)O

SELFIES: [C][C][C][C][C][C][=C][C][Branch1][C][O-1][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.4