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Home > Nitro Compounds > 13980-01-3
13980-01-3 | 1,3,5,7-Tetrazocine, octahydro-1,5-dinitro-3,7-dinitroso-
CAS No: 13980-01-3 Catalog No: AG001BQ0 MDL No:
Product Description
Catalog Number:
AG001BQ0
Chemical Name:
1,3,5,7-Tetrazocine, octahydro-1,5-dinitro-3,7-dinitroso-
CAS Number:
13980-01-3
Molecular Formula:
C4H8N8O6
Molecular Weight:
264.1563
IUPAC Name:
1,5-dinitro-3,7-dinitroso-1,3,5,7-tetrazocane
InChI:
InChI=1S/C4H8N8O6/c13-5-7-1-9(11(15)16)3-8(6-14)4-10(2-7)12(17)18/h1-4H2
InChI Key:
SZVYCKMIMAJSLW-UHFFFAOYSA-N
SMILES:
O=NN1CN(CN(CN(C1)[N+](=O)[O-])N=O)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.158g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Biotransformation routes of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine by municipal anaerobic sludge. | Environmental science & technology 20010101 |
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