Molecule ID: 17969016

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

Description: The molecule is a nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 5 and 6. It is a member of catechols and a nitrotoluene.

SMILES: Cc1c([N+](=O)[O-])ccc(O)c1O

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

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

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 1.4