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13980-00-2 | Ethanone, 1-(hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)-
CAS No: 13980-00-2 Catalog No: AG001BQ1 MDL No:
Product Description
Catalog Number:
AG001BQ1
Chemical Name:
Ethanone, 1-(hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)-
CAS Number:
13980-00-2
Molecular Formula:
C6H11N7O7
Molecular Weight:
293.1942
IUPAC Name:
1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanone
InChI:
InChI=1S/C6H11N7O7/c1-6(14)7-2-8(11(15)16)4-10(13(19)20)5-9(3-7)12(17)18/h2-5H2,1H3
InChI Key:
CJYDNDLQIIGSTH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CN(CN(CN(C1)[N+](=O)[O-])C(=O)C)[N+](=O)[O-]
EC Number:
237-765-7
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.196g/mol
Monoisotopic Mass:
293.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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