Phenyl butyrate

Properties Image MNX_ID MNXM129236 reference chebi:180407 formula C10H12O2 global charge 0 mol weight 164.204 InChIKey IGVPBCZDHMIOJH-UHFFFAOYSA-N InChI InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 SMILES CCCC(=O)OC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 SMILES (mnx) [CH3:1][CH2:2][CH2:6][C:10](=[O:11])[O:12][C:9]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1

Parent-child relations graph

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