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Home > Pyridines > 948027-43-8
948027-43-8 | 3-(Pyridin-3’-yl)-cytisine
CAS No: 948027-43-8 Catalog No: AG01E60I MDL No:
Product Description
Catalog Number:
AG01E60I
Chemical Name:
3-(Pyridin-3’-yl)-cytisine
CAS Number:
948027-43-8
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
(1R,9S)-5-pyridin-3-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
InChI:
InChI=1S/C16H17N3O/c20-16-14(12-2-1-5-17-8-12)3-4-15-13-6-11(7-18-9-13)10-19(15)16/h1-5,8,11,13,18H,6-7,9-10H2/t11-,13+/m0/s1
InChI Key:
GOYASQWDLRLAPK-WCQYABFASA-N
SMILES:
O=c1n2C[C@@H]3CNC[C@H](c2ccc1c1cccnc1)C3
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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