3-methylbenzoate

Properties Image MNX_ID MNXM4661 reference chebi:28795 formula C8H7O2 global charge -1 mol weight 135.142 InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-M InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1 SMILES CC1=CC(C(=O)[O-])=CC=C1 MNX internals InChI (mnx) InChI=1/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) SMILES (mnx) [CH3:1][C:6]1=[CH:5][C:7]([C:8](=[O:9])[OH:10])=[CH:4][CH:2]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 2