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10176-93-9 | 3-Pyridinecarbonitrile, 6-methyl-5-phenyl-
CAS No: 10176-93-9 Catalog No: AG0005FG MDL No:
Product Description
Catalog Number:
AG0005FG
Chemical Name:
3-Pyridinecarbonitrile, 6-methyl-5-phenyl-
CAS Number:
10176-93-9
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
6-methyl-5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2/c1-10-13(7-11(8-14)9-15-10)12-5-3-2-4-6-12/h2-7,9H,1H3
InChI Key:
NXLHNUIZWXYTIC-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1)c1ccccc1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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