4-methylbenzoate

Properties Image MNX_ID MNXM3331 reference chebi:28856 formula C8H7O2 global charge -1 mol weight 135.142 InChIKey LPNBBFKOUUSUDB-UHFFFAOYSA-M InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1 SMILES CC1=CC=C(C(=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) SMILES (mnx) [CH3:1][C:6]1=[CH:3][CH:5]=[C:7]([C:8]([OH:9])=[O:10])[CH:4]=[CH:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 2