898755-75-4
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYBUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYBUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYBUTYROPHENONE
【CAS】
【MDL】
MFCD03844294
【English Synonyms】
【Formula】
C18 H26 O4
【MolWeight】
306.399
【Inchi】
InChI=1S/C18H26O4/c1-4-20-16-10-6-5-8-14(16)15(19)9-7-11-17-21-12-18(2,3)13-22-17/h5-6,8,10,17H,4,7,9,11-13H2,1-3H3
【InChIKey】
InChIKey=FALSBGJLRCITLS-UHFFFAOYSA-N
【SMILES】
CCOc1ccccc1C(=O)CCCC2OCC(CO2)(C)C
【MOL File】
4-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYBUTYROPHENONE.cml