Molecule ID: 86289485

IUPAC Name: 4-carboxy-8-methylnaphthalen-2-olate

Description: The molecule is a member of the class of naphthoates that is 1-naphthoate substituted at positions 3 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-hydroxy-5-methyl-1-naphthoic acid.

SMILES: Cc1cccc2c(C(=O)O)cc([O-])cc12

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

InChI: InChI=1S/C12H10O3/c1-7-3-2-4-9-10(7)5-8(13)6-11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 3.4