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14045-37-5 | 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4-phenyl-
CAS No: 14045-37-5 Catalog No: AG001CGE MDL No:MFCD16304265
Product Description
Catalog Number:
AG001CGE
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4-phenyl-
CAS Number:
14045-37-5
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD16304265
IUPAC Name:
2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C12H8N2O/c13-8-11-10(6-7-14-12(11)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChI Key:
UIDTXRAXSRKTKL-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]ccc1c1ccccc1
Properties
Complexity:
378
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:
1.3
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