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Home > Pyridines > 273748-51-9
273748-51-9 | 1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethyl)-
CAS No: 273748-51-9 Catalog No: AG00I56V MDL No:MFCD24848637
Product Description
Catalog Number:
AG00I56V
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethyl)-
CAS Number:
273748-51-9
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD24848637
IUPAC Name:
2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C13H16N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,9,11-12H,3-4,6-8H2
InChI Key:
RDZRUHBKCNPOPR-UHFFFAOYSA-N
SMILES:
O=C1C2CCN(C1Cc1cccnc1)CC2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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