Molecule ID: 54746231

IUPAC Name: 4-carboxy-2-(3-methylbut-2-enyl)phenolate

Description: The molecule is a member of the class of benzoates obtained by deprotonation of the carboxy group of any 4-hydroxy-3-polyprenylbenzoic acid; major species at pH 7.3. It is a conjugate base of a 4-hydroxy-3-polyprenylbenzoic acid.

SMILES: CC(C)=CCc1cc(C(=O)O)ccc1[O-]

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

InChI: InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 3.7