898755-96-9
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-5'-FLUORO-2'-METHYLBUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-5'-FLUORO-2'-METHYLBUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-5'-FLUORO-2'-METHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03844308
【English Synonyms】
【Formula】
C17 H23 F O3
【MolWeight】
294.364
【Inchi】
InChI=1S/C17H23FO3/c1-12-7-8-13(18)9-14(12)15(19)5-4-6-16-20-10-17(2,3)11-21-16/h7-9,16H,4-6,10-11H2,1-3H3
【InChIKey】
InChIKey=IIYODZVVRFMPIN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C(=O)CCCC2OCC(CO2)(C)C)F
【MOL File】
4-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-5'-FLUORO-2'-METHYLBUTYROPHENONE.cml