Molecule ID: 3976897

IUPAC Name: 5-methyl-3-nitrobenzene-1,2-diol

Description: The molecule is a methylcatechol that is 3-nitrocatechol carrying a methyl substituent at position 5. It is a nitrotoluene and a methylcatechol.

SMILES: Cc1cc(O)c(O)c([N+](=O)[O-])c1

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

InChI: InChI=1S/C7H7NO4/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,9-10H,1H3

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 1.6