Molecule ID: 4661

IUPAC Name: 2-(4-nitrophenyl)acetic acid

Description: The molecule is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group. It is a C-nitro compound and a member of phenylacetic acids. It derives from a phenylacetic acid. It is a conjugate acid of a (4-nitrophenyl)acetate.

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

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

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 1.4