Molecule ID: 70680268

IUPAC Name: 2-nitro-4-(2-oxoethyl)phenolate

Description: The molecule is a phenolate anion that is the conjugate base of 4-hydroxy-3-nitrophenylacetaldehyde; major species at pH 7.3 It is a conjugate base of a 4-hydroxy-3-nitrophenylacetaldehyde.

SMILES: O=CCc1ccc([O-])c([N+](=O)[O-])c1

SELFIES: [O][=C][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/C8H7NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,4-5,11H,3H2/p-1

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: 1.4