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Home > Nitro Compounds > 200719-79-5
200719-79-5 | 1,3,5-Triazocine, octahydro-1,3,5,7,7-pentanitro-
CAS No: 200719-79-5 Catalog No: AG002CXC MDL No:
Product Description
Catalog Number:
AG002CXC
Chemical Name:
1,3,5-Triazocine, octahydro-1,3,5,7,7-pentanitro-
CAS Number:
200719-79-5
Molecular Formula:
C5H8N8O10
Molecular Weight:
340.1646
IUPAC Name:
1,3,5,7,7-pentanitro-1,3,5-triazocane
InChI:
InChI=1S/C5H8N8O10/c14-9(15)5(10(16)17)1-6(11(18)19)3-8(13(22)23)4-7(2-5)12(20)21/h1-4H2
InChI Key:
UMUXTFZDDKRTQL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CN(CC(CN(C1)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.165g/mol
Monoisotopic Mass:
340.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
239A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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