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Home > Pyridines > 189243-85-4
189243-85-4 | 1-Azabicyclo[2.2.2]octane, 3-(2-pyridinylmethylene)-, (3Z)-
CAS No: 189243-85-4 Catalog No: AG002I4C MDL No:
Product Description
Catalog Number:
AG002I4C
Chemical Name:
1-Azabicyclo[2.2.2]octane, 3-(2-pyridinylmethylene)-, (3Z)-
CAS Number:
189243-85-4
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
3-(pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H16N2/c1-2-6-14-13(3-1)9-12-10-15-7-4-11(12)5-8-15/h1-3,6,9,11H,4-5,7-8,10H2
InChI Key:
MVQHXSQFWKKAOZ-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)/C=C/1\CN2CCC1CC2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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