898755-86-7
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PHENOXYBUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PHENOXYBUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PHENOXYBUTYROPHENONE
【CAS】
【MDL】
MFCD03844302
【English Synonyms】
【Formula】
C22 H26 O4
【MolWeight】
354.443
【Inchi】
InChI=1S/C22H26O4/c1-22(2)15-24-21(25-16-22)10-6-9-20(23)17-11-13-19(14-12-17)26-18-7-4-3-5-8-18/h3-5,7-8,11-14,21H,6,9-10,15-16H2,1-2H3
【InChIKey】
InChIKey=YWMRUYDXLSSTST-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2ccc(cc2)Oc3ccccc3)C
【MOL File】
4-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PHENOXYBUTYROPHENONE.cml