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115029-33-9 | Octahydro-1,3,4,5,7,8-hexanitro-diimidazo[4,5-b
CAS No: 115029-33-9 Catalog No: AG009022 MDL No:
Product Description
Catalog Number:
AG009022
Chemical Name:
Octahydro-1,3,4,5,7,8-hexanitro-diimidazo[4,5-b
CAS Number:
115029-33-9
IUPAC Name:
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
InChI:
InChI=1S/C6H4N12O14/c19-5-9(15(25)26)1-2(10(5)16(27)28)8(14(23)24)4-3(7(1)13(21)22)11(17(29)30)6(20)12(4)18(31)32/h1-4H
InChI Key:
ZFBXJPJQJKATGM-UHFFFAOYSA-N
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.997g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.168g/mol
Monoisotopic Mass:
467.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
329A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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