3-(1-cyanoethyl)benzoic acid

Properties Image MNX_ID MNXM150813 reference chebi:85131 formula C10H9NO2 global charge 0 mol weight 175.187 InChIKey IRYIYPWRXROPSX-UHFFFAOYSA-N InChI InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13) SMILES CC(C#N)C1=CC=CC(C(=O)O)=C1 MNX internals InChI (mnx) InChI=1/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)/t7? SMILES (mnx) [CH3:1][CH:7]([C:6]#[N:11])[C:8]1=[CH:5][C:9]([C:10](=[O:12])[OH:13])=[CH:4][CH:2]=[CH:3]1

Parent-child relations graph

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