Molecule ID: 25202315

IUPAC Name: 5-hydroxy-7,8-dioxonaphthalen-1-olate

Description: The molecule is the conjugate base of 2,8-dihydroxy-1,4-naphthoquinone arising from selective deprotonation of the 2-hydroxy group; major species at pH 7.3. It is a conjugate base of a 2,8-dihydroxy-1,4-naphthoquinone.

SMILES: O=C1C=C(O)c2cccc([O-])c2C1=O

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

InChI: InChI=1S/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11-12H/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.1