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Home > Pyridines > 338964-90-2
338964-90-2 | 1-benzyl-5-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 338964-90-2 Catalog No: AG00IRCB MDL No:MFCD00232517
Product Description
Catalog Number:
AG00IRCB
Chemical Name:
1-benzyl-5-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
338964-90-2
Molecular Formula:
C20H16N2O
Molecular Weight:
300.3538
MDL Number:
MFCD00232517
IUPAC Name:
1-benzyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C20H16N2O/c1-15-7-9-17(10-8-15)19-11-18(12-21)20(23)22(14-19)13-16-5-3-2-4-6-16/h2-11,14H,13H2,1H3
InChI Key:
KWKCDZFEEQGIFG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)Cc1ccccc1)c1ccc(cc1)C
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.361g/mol
Monoisotopic Mass:
300.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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