898785-40-5
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
【CAS】
【MDL】
MFCD03844221
【English Synonyms】
【Formula】
C16 H22 O3
【MolWeight】
262.347
【Inchi】
InChI=1S/C16H22O3/c1-16(2)11-18-15(19-12-16)10-6-9-14(17)13-7-4-3-5-8-13/h3-5,7-8,15H,6,9-12H2,1-2H3
【InChIKey】
InChIKey=MKFZEQOBIXFPMX-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2ccccc2)C
【MOL File】
4-(5,5-DIMETHYL-1,3-….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-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE.cml