898756-03-1
2',3'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Name2',3'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
2',3'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844311
【English Synonyms】
【Formula】
C19 H28 O5
【MolWeight】
336.425
【Inchi】
InChI=1S/C19H28O5/c1-19(2)12-23-17(24-13-19)11-6-5-9-15(20)14-8-7-10-16(21-3)18(14)22-4/h7-8,10,17H,5-6,9,11-13H2,1-4H3
【InChIKey】
InChIKey=ZGWWHCZIDCVAIW-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2cccc(c2OC)OC)C
【MOL File】
2',3'-DIMETHOXY-5-(5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2',3'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml