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Home > Nitro Compounds > 88538-44-7
88538-44-7 | 1,5-Diazocine, octahydro-1,3,3,7,7-pentanitro-
CAS No: 88538-44-7 Catalog No: AG0046NR MDL No:
Product Description
Catalog Number:
AG0046NR
Chemical Name:
1,5-Diazocine, octahydro-1,3,3,7,7-pentanitro-
CAS Number:
88538-44-7
Molecular Formula:
C6H9N7O10
Molecular Weight:
339.1766
IUPAC Name:
1,3,3,7,7-pentanitro-1,5-diazocane
InChI:
InChI=1S/C6H9N7O10/c14-9(15)5(10(16)17)1-7-2-6(11(18)19,12(20)21)4-8(3-5)13(22)23/h7H,1-4H2
InChI Key:
LPIKMOKFJMRQOT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CC(CNCC(C1)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.041g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.177g/mol
Monoisotopic Mass:
339.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
244A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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