898786-27-1
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROBUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROBUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-NITROBUTYROPHENONE
【CAS】
【MDL】
MFCD03844247
【English Synonyms】
【Formula】
C16 H21 N O5
【MolWeight】
307.344
【Inchi】
InChI=1S/C16H21NO5/c1-16(2)10-21-15(22-11-16)8-4-7-14(18)12-5-3-6-13(9-12)17(19)20/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3
【InChIKey】
InChIKey=HNLLTLRBRGZANY-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=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'-NITROBUTYROPHENONE.cml