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84596-46-3 | 3-Pyridinecarbonitrile, 1,2-dihydro-5-methyl-2-oxo-6-phenyl-
CAS No: 84596-46-3 Catalog No: AG004QAO MDL No:
Product Description
Catalog Number:
AG004QAO
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-5-methyl-2-oxo-6-phenyl-
CAS Number:
84596-46-3
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
5-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O/c1-9-7-11(8-14)13(16)15-12(9)10-5-3-2-4-6-10/h2-7H,1H3,(H,15,16)
InChI Key:
JGMSBAMMZWIOAP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c([nH]c1=O)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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