Molecule ID: 7058138

IUPAC Name: 2-(3-nitro-4-oxidophenyl)acetate

Description: The molecule is the dianion obtained by deprotonation of the phenol and carboxy functions of (4-hydroxy-3-nitrophenyl)acetic acid. It is a monocarboxylic acid anion and a phenolate anion. It is a conjugate base of a (4-hydroxy-3-nitrophenyl)acetate.

SMILES: O=C([O-])Cc1ccc([O-])c([N+](=O)[O-])c1

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

InChI: InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 2.2