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Home > Nitro Compounds > 88538-45-8
88538-45-8 | 1,5-Diazocine, octahydro-1-methyl-3,3,5,7,7-pentanitro-
CAS No: 88538-45-8 Catalog No: AG0046NQ MDL No:
Product Description
Catalog Number:
AG0046NQ
Chemical Name:
1,5-Diazocine, octahydro-1-methyl-3,3,5,7,7-pentanitro-
CAS Number:
88538-45-8
Molecular Formula:
C7H11N7O10
Molecular Weight:
353.2031
IUPAC Name:
1-methyl-3,3,5,7,7-pentanitro-1,5-diazocane
InChI:
InChI=1S/C7H11N7O10/c1-8-2-6(10(15)16,11(17)18)4-9(14(23)24)5-7(3-8,12(19)20)13(21)22/h2-5H2,1H3
InChI Key:
YLEMLTSELSWMFB-UHFFFAOYSA-N
SMILES:
CN1CC(CN(CC(C1)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.204g/mol
Monoisotopic Mass:
353.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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