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89178-56-3

89178-56-3 | 1,8-Naphthyridine, decahydro-4a-methyl-1,8-dinitroso-, trans-

CAS No: 89178-56-3 Catalog No: AG003WE1 MDL No:

Product Description

Catalog Number:
AG003WE1
Chemical Name:
1,8-Naphthyridine, decahydro-4a-methyl-1,8-dinitroso-, trans-
CAS Number:
89178-56-3
Molecular Formula:
C9H16N4O2
Molecular Weight:
212.2489
IUPAC Name:
4a-methyl-1,8-dinitroso-3,4,5,6,7,8a-hexahydro-2H-1,8-naphthyridine
InChI:
InChI=1S/C9H16N4O2/c1-9-4-2-6-12(10-14)8(9)13(11-15)7-3-5-9/h8H,2-7H2,1H3
InChI Key:
WVTWMGBPHKOBHH-UHFFFAOYSA-N
SMILES:
O=NN1CCC[C@]2([C@H]1N(N=O)CCC2)C

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.253g/mol
Monoisotopic Mass:
212.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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