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Home > Other Heterocycles > 25926-97-0
25926-97-0 | 7,8-Diazabicyclo[4.2.2]dec-7-ene, 7-oxide
CAS No: 25926-97-0 Catalog No: AG002R3H MDL No:
Product Description
Catalog Number:
AG002R3H
Chemical Name:
7,8-Diazabicyclo[4.2.2]dec-7-ene, 7-oxide
CAS Number:
25926-97-0
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
IUPAC Name:
7-oxido-8-aza-7-azoniabicyclo[4.2.2]dec-7-ene
InChI:
InChI=1S/C8H14N2O/c11-10-8-4-2-1-3-7(9-10)5-6-8/h7-8H,1-6H2
InChI Key:
XTKXMTKMENHWEY-UHFFFAOYSA-N
SMILES:
[O-][N+]1=NC2CCCCC1CC2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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