compound 0111068

Properties Image MNX_ID MNXM1195676 reference envipathM:...7fbeb4a4d216 formula C9H10F3O3 global charge -1 mol weight 223.17 InChIKey NOVHXDVETYFMDQ-AOGGBPEJSA-M InChI InChI=1S/C9H11F3O3/c1-6(5-13)7(4-8(14)15)2-3-9(10,11)12/h2-4,6,13H,5H2,1H3,(H,14,15)/p-1/b3-2+,7-4+ SMILES CC(CO)C(/C=C/C(F)(F)F)=C/C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H11F3O3/c1-6(5-13)7(4-8(14)15)2-3-9(10,11)12/h2-4,6,13H,5H2,1H3,(H,14,15)/b3-2+,7-4+/t6? SMILES (mnx) [CH3:1][CH:6]([CH2:5][OH:13])[C:7](/[CH:2]=[CH:3]/[C:9]([F:10])([F:11])[F:12])=[CH:4]/[C:8](=[O:14])[OH:15]

Parent-child relations graph

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