898785-90-5
4'-CHLORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
Name4'-CHLORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
1Identification
【Name】
4'-CHLORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
【CAS】
【MDL】
MFCD03844237
【English Synonyms】
【Formula】
C16 H21 Cl O3
【MolWeight】
296.792
【Inchi】
InChI=1S/C16H21ClO3/c1-16(2)10-19-15(20-11-16)5-3-4-14(18)12-6-8-13(17)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3
【InChIKey】
InChIKey=GMBGSQXZUFAJIE-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2ccc(cc2)Cl)C
【MOL File】
4'-CHLORO-4-(5,5-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-CHLORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE.cml