898786-33-9
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROVALEROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROVALEROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROVALEROPHENONE
【CAS】
【MDL】
MFCD03844249
【English Synonyms】
【Formula】
C17 H23 N O5
【MolWeight】
321.371
【Inchi】
InChI=1S/C17H23NO5/c1-17(2)11-22-16(23-12-17)9-4-3-8-15(19)13-6-5-7-14(10-13)18(20)21/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3
【InChIKey】
InChIKey=XYRDBDSYSRAOCM-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2cccc(c2)[N+](=O)[O-])C
【MOL File】
4-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROVALEROPHENONE.cml