Molecule ID: 13548877

IUPAC Name: 2,7-dihydroxy-5-methylnaphthalene-1-carboxylic acid

Description: The molecule is a member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group. It has a role as a bacterial metabolite. It is a naphthoic acid and a member of naphthalenediols. It is a conjugate acid of a 2,7-dihydroxy-5-methyl-1-naphthoate.

SMILES: Cc1cc(O)cc2c(C(=O)O)c(O)ccc12

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

InChI: InChI=1S/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.9