Methyl (S)-mandelate

Properties Image MNX_ID MNXM168328 reference sabiorkM:26485 formula C9H10O3 global charge 0 mol weight 166.176 InChIKey ITATYELQCJRCCK-QMMMGPOBSA-N InChI InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1 SMILES COC(=O)[C@@H](O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1 SMILES (mnx) [CH3:1][O:12][C:9]([C@H:8]([C:7]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[OH:10])=[O:11]

Parent-child relations graph

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