Molecule ID: 5492051

IUPAC Name: 4-methyl-3-nitrobenzene-1,2-diol

Description: The molecule is a methylcatechol that is 4-methylcatechol in which the hydrogen at position 3 has been replaced by a nitro group. It is a methylcatechol and a nitrotoluene. It is a conjugate acid of a 4-methyl-3-nitrocatechol(1-).

SMILES: Cc1ccc(O)c(O)c1[N+](=O)[O-]

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

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

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 1.9