4-Methylbenzoylformic acid

Properties Image MNX_ID MNXM166416 reference sabiorkM:20805 formula C9H8O3 global charge 0 mol weight 164.16 InChIKey UIIIPQVTXBPHTI-UHFFFAOYSA-N InChI InChI=1S/C9H8O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5H,1H3,(H,11,12) SMILES CC1=CC=C(C(=O)C(=O)O)C=C1 MNX internals InChI (mnx) InChI=1/C9H8O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5H,1H3,(H,11,12) SMILES (mnx) [CH3:1][C:6]1=[CH:3][CH:5]=[C:7]([C:8]([C:9](=[O:11])[OH:12])=[O:10])[CH:4]=[CH:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0