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Home > Pyridines > 870723-56-1
870723-56-1 | Benzonitrile, 4-(1,2-dihydro-2-oxo-3-pyridinyl)-
CAS No: 870723-56-1 Catalog No: AG00IECC MDL No:
Product Description
Catalog Number:
AG00IECC
Chemical Name:
Benzonitrile, 4-(1,2-dihydro-2-oxo-3-pyridinyl)-
CAS Number:
870723-56-1
IUPAC Name:
4-(2-oxo-1H-pyridin-3-yl)benzonitrile
InChI:
InChI=1S/C12H8N2O/c13-8-9-3-5-10(6-4-9)11-2-1-7-14-12(11)15/h1-7H,(H,14,15)
InChI Key:
XSCMTQQXOHQNBL-UHFFFAOYSA-N
Properties
Complexity:
364
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:
1
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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