3-methyl-4-nitrocatechol

Properties Image MNX_ID MNXM10061 reference chebi:142280 formula C7H7NO4 global charge 0 mol weight 169.136 InChIKey IDTXJDQVEWSWDD-UHFFFAOYSA-N InChI InChI=1S/C7H7NO4/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,9-10H,1H3 SMILES CC1=C(O)C(O)=CC=C1[N+](=O)[O-] MNX internals InChI (mnx) InChI=1/C7H7NO4/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,9-10H,1H3 SMILES (mnx) [CH3:1][C:4]1=[C:5]([N+:8]([O-:11])=[O:12])[CH:2]=[CH:3][C:6]([OH:9])=[C:7]1[OH:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0