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Home > Nitro Compounds > 115029-36-2
115029-36-2 | 2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione, 2,4,6,8-tetranitro-
CAS No: 115029-36-2 Catalog No: AG000FQV MDL No:
Product Description
Catalog Number:
AG000FQV
Chemical Name:
2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione, 2,4,6,8-tetranitro-
CAS Number:
115029-36-2
Molecular Formula:
C5H4N8O10
Molecular Weight:
336.1329
IUPAC Name:
2,4,6,8-tetranitro-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
InChI:
InChI=1S/C5H4N8O10/c14-4-6(10(16)17)2-1-3(8(4)12(20)21)9(13(22)23)5(15)7(2)11(18)19/h2-3H,1H2
InChI Key:
XLFSCPLLTNXBQV-UHFFFAOYSA-N
SMILES:
O=C1N([N+](=O)[O-])C2CC(N1[N+](=O)[O-])N(C(=O)N2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.005g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.133g/mol
Monoisotopic Mass:
336.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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