Molecule ID: 671

IUPAC Name: 1,4-dihydroxynaphthalene-2-carboxylic acid

Description: The molecule is a naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4. It has a role as an Escherichia coli metabolite. It is a dihydroxy monocarboxylic acid, a naphthoic acid, a member of naphthalenediols and a naphthohydroquinone. It derives from a 2-naphthoic acid. It is a conjugate acid of a 1,4-dihydroxy-2-naphthoate.

SMILES: O=C(O)c1cc(O)c2ccccc2c1O

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

InChI: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.5