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Home > Nitro Compounds > 89779-41-9
89779-41-9 | Pentane, 1,1,1,3,3,5,5,5-octanitro-
CAS No: 89779-41-9 Catalog No: AG003YNZ MDL No:
Product Description
Catalog Number:
AG003YNZ
Chemical Name:
Pentane, 1,1,1,3,3,5,5,5-octanitro-
CAS Number:
89779-41-9
Molecular Formula:
C5H4N8O16
Molecular Weight:
432.1293
IUPAC Name:
1,1,1,3,3,5,5,5-octanitropentane
InChI:
InChI=1S/C5H4N8O16/c14-6(15)3(7(16)17,1-4(8(18)19,9(20)21)10(22)23)2-5(11(24)25,12(26)27)13(28)29/h1-2H2
InChI Key:
LENPTUIJARUPNC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C([N+](=O)[O-])(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.975g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.127g/mol
Monoisotopic Mass:
431.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
367A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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