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Home > Nitro Compounds > 114454-28-3
114454-28-3 | 1,3,5,7-Tetrazocine, octahydro-1,5-dimethyl-3,7-dinitroso-
CAS No: 114454-28-3 Catalog No: AG000EFH MDL No:
Product Description
Catalog Number:
AG000EFH
Chemical Name:
1,3,5,7-Tetrazocine, octahydro-1,5-dimethyl-3,7-dinitroso-
CAS Number:
114454-28-3
Molecular Formula:
C6H14N6O2
Molecular Weight:
202.2144
IUPAC Name:
1,5-dimethyl-3,7-dinitroso-1,3,5,7-tetrazocane
InChI:
InChI=1S/C6H14N6O2/c1-9-3-11(7-13)5-10(2)6-12(4-9)8-14/h3-6H2,1-2H3
InChI Key:
XEDPIZUYWSMLGL-UHFFFAOYSA-N
SMILES:
O=NN1CN(C)CN(CN(C1)C)N=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.218g/mol
Monoisotopic Mass:
202.118g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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