Molecule ID: 6931101

IUPAC Name: 2-(4-nitrophenyl)acetate

Description: The molecule is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (4-nitrophenyl)acetic acid; it is the major species at pH 7.3. It is a conjugate base of a (4-nitrophenyl)acetic acid.

SMILES: O=C([O-])Cc1ccc([N+](=O)[O-])cc1

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

InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: 2.0