Molecule ID: 22034936

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

Description: The molecule is a C-nitro compound that is phenylacetaldehyde substituted at positions 3 and 4 by nitro and hydroxy groups respectively. It is a member of phenylacetaldehydes and a member of 2-nitrophenols. It is a conjugate acid of a 4-hydroxy-3-nitrophenylacetaldehyde(1-).

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

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

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