Molecule ID: 134814704

IUPAC Name: 6-hydroxy-3-methyl-2-nitrophenolate

Description: The molecule is a phenolate anion resulting from the deprotonation of the hydroxy group that is ortho to the nitro group of 4-methyl-3-nitrocatechol; the major microspecies at pH 7.3. It is a conjugate base of a 4-methyl-3-nitrocatechol.

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

SELFIES: [C][C][=C][C][=C][Branch1][C][O-1][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/p-1

Molecular Properties:
- Polar Surface Area: 89.1 Ų
- LogP: 2.1