898786-30-6
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-NITROBUTYROPHENONE
Name
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-NITROBUTYROPHENONE
Formula
C16 H21 N O5
MolWeight
307.344
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-NITROBUTYROPHENONE
【CAS】
【MDL】
MFCD03844248
【English Synonyms】
【Formula】
C16 H21 N O5
【MolWeight】
307.344
【Inchi】
InChI=1S/C16H21NO5/c1-16(2)10-21-15(22-11-16)5-3-4-14(18)12-6-8-13(9-7-12)17(19)20/h6-9,15H,3-5,10-11H2,1-2H3
【InChIKey】
InChIKey=IWRQPFNOROSSTR-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2ccc(cc2)[N+](=O)[O-])C
【MOL File】
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)-4'-NITROBUTYROPHENONE.cml
Quick Release
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