Molecule ID: 42608427

IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of (4-hydroxy-3-nitrophenyl)acetic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a (4-hydroxy-3-nitrophenyl)acetic acid. It is a conjugate acid of a (3-nitro-4-oxidophenyl)acetate.

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

SELFIES: [O][=C][Branch1][C][O][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-1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 2.1