(S)-4-(4-Methylphenyl)-2-pentanone

Properties Image MNX_ID MNXM115424 reference chebi:173483 formula C12H16O global charge 0 mol weight 176.259 InChIKey QPTHNVGZXBEQOJ-UHFFFAOYSA-N InChI InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3 SMILES CC(=O)CC(C)C1=CC=C(C)C=C1 MNX internals InChI (mnx) InChI=1/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3/t10? SMILES (mnx) [CH3:1][C:9]1=[CH:5][CH:7]=[C:12]([CH:10]([CH3:2])[CH2:8][C:11]([CH3:3])=[O:13])[CH:6]=[CH:4]1

Parent-child relations graph

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