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Home > Pyridines > 444002-96-4
444002-96-4 | 1-(4-Cyanophenyl)-1H-pyridin-2-one
CAS No: 444002-96-4 Catalog No: AG00E62N MDL No:
Product Description
Catalog Number:
AG00E62N
Chemical Name:
1-(4-Cyanophenyl)-1H-pyridin-2-one
CAS Number:
444002-96-4
IUPAC Name:
4-(2-oxopyridin-1-yl)benzonitrile
InChI:
InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h1-8H
InChI Key:
YWUBPOQDSWXEOL-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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