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Home > Nitro Compounds > 85690-40-0
85690-40-0 | 5,5'-Bi-1,3-dioxane, 2,2,2',2'-tetramethyl-5,5'-dinitro-
CAS No: 85690-40-0 Catalog No: AG004T4T MDL No:
Product Description
Catalog Number:
AG004T4T
Chemical Name:
5,5'-Bi-1,3-dioxane, 2,2,2',2'-tetramethyl-5,5'-dinitro-
CAS Number:
85690-40-0
Molecular Formula:
C12H20N2O8
Molecular Weight:
320.2958
IUPAC Name:
5-(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)-2,2-dimethyl-5-nitro-1,3-dioxane
InChI:
InChI=1S/C12H20N2O8/c1-9(2)19-5-11(6-20-9,13(15)16)12(14(17)18)7-21-10(3,4)22-8-12/h5-8H2,1-4H3
InChI Key:
OOHRHSGCICDLNQ-UHFFFAOYSA-N
SMILES:
CC1(C)OCC(CO1)([N+](=O)[O-])C1(COC(OC1)(C)C)[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.298g/mol
Monoisotopic Mass:
320.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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