3-(cyclohexa-1,3-dien-1-yl)-2-oxopropanoate

Properties Image MNX_ID MNXM9978 reference metacycM:CPD-12682 formula C9H9O3 global charge -1 mol weight 165.168 InChIKey YFTRWHCSHCKDRJ-UHFFFAOYSA-M InChI InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,4H,3,5-6H2,(H,11,12)/p-1 SMILES O=C([O-])C(=O)CC1=CC=CCC1 MNX internals InChI (mnx) InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,4H,3,5-6H2,(H,11,12) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]([CH2:6][C:8]([C:9]([OH:11])=[O:12])=[O:10])[CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0