4-Methoxymandelate

Properties Image MNX_ID MNXM819704 reference sabiorkM:30186 formula C9H10O4 global charge 0 mol weight 182.175 InChIKey ITECRQOOEQWFPE-UHFFFAOYSA-N InChI InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12) SMILES COC1=CC=C(C(O)C(=O)O)C=C1 MNX internals InChI (mnx) InChI=1/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)/t8? SMILES (mnx) [CH3:1][O:13][C:7]1=[CH:5][CH:3]=[C:6]([CH:8]([C:9](=[O:11])[OH:12])[OH:10])[CH:2]=[CH:4]1

Parent-child relations graph

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