55821-20-0
6,7-DIMETHYL-3-(4-NITROPHENYL)-2,4-DIOXABICYCLO[3.2.1]OCTANE
Name6,7-DIMETHYL-3-(4-NITROPHENYL)-2,4-DIOXABICYCLO[3.2.1]OCTANE
1Identification
【Name】
6,7-DIMETHYL-3-(4-NITROPHENYL)-2,4-DIOXABICYCLO[3.2.1]OCTANE
【CAS】
【MDL】
MFCD18972877
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H17 N O4
【pro_molWeight】
263.291
【Inchi】
InChI=1S/C14H17NO4/c1-8-9(2)13-7-12(8)18-14(19-13)10-3-5-11(6-4-10)15(16)17/h3-6,8-9,12-14H,7H2,1-2H3
【InChIKey】
InChIKey=KISZPFCDPFDHIN-UHFFFAOYSA-N
【SMILES】
CC1C(C2CC1OC(O2)c3ccc(cc3)[N+](=O)[O-])C
【MOL File】
6,7-DIMETHYL-3-(4-NI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6,7-DIMETHYL-3-(4-NITROPHENYL)-2,4-DIOXABICYCLO[3.2.1]OCTANE.cml