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Home > Nitro Compounds > 89178-55-2
89178-55-2 | 1,8-Naphthyridine, decahydro-1,8-dinitroso-, trans-
CAS No: 89178-55-2 Catalog No: AG003WE2 MDL No:
Product Description
Catalog Number:
AG003WE2
Chemical Name:
1,8-Naphthyridine, decahydro-1,8-dinitroso-, trans-
CAS Number:
89178-55-2
Molecular Formula:
C8H14N4O2
Molecular Weight:
198.2224
IUPAC Name:
1,8-dinitroso-2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine
InChI:
InChI=1S/C8H14N4O2/c13-9-11-5-1-3-7-4-2-6-12(10-14)8(7)11/h7-8H,1-6H2
InChI Key:
OOWOXBQTGIUGBG-UHFFFAOYSA-N
SMILES:
O=NN1CCC[C@@H]2[C@@H]1N(N=O)CCC2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.226g/mol
Monoisotopic Mass:
198.112g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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