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Home > Nitro Compounds > 13979-94-7
13979-94-7 | 2,4,6,8-Tetraazanonane-1,9-diol, 2,4,6,8-tetranitro-, 1,9-dinitrate
CAS No: 13979-94-7 Catalog No: AG001BQ2 MDL No:
Product Description
Catalog Number:
AG001BQ2
Chemical Name:
2,4,6,8-Tetraazanonane-1,9-diol, 2,4,6,8-tetranitro-, 1,9-dinitrate
CAS Number:
13979-94-7
Molecular Formula:
C5H10N10O14
Molecular Weight:
434.1915
IUPAC Name:
[nitro-[[nitro-[[nitro-[[nitro(nitrooxymethyl)amino]methyl]amino]methyl]amino]methyl]amino]methyl nitrate
InChI:
InChI=1S/C5H10N10O14/c16-10(17)6(2-8(12(20)21)4-28-14(24)25)1-7(11(18)19)3-9(13(22)23)5-29-15(26)27/h1-5H2
InChI Key:
JIFNBGMOBAYSNR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N(CN([N+](=O)[O-])CO[N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])CO[N+](=O)[O-]
EC Number:
237-764-1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.038g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.191g/mol
Monoisotopic Mass:
434.038g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
306A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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