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Home > Pyridines > 478080-26-1
478080-26-1 | 1-[(4-methylphenyl)methyl]-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 478080-26-1 Catalog No: AG00IR0E MDL No:MFCD02083274
Product Description
Catalog Number:
AG00IR0E
Chemical Name:
1-[(4-methylphenyl)methyl]-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
478080-26-1
Molecular Formula:
C20H16N2O
Molecular Weight:
300.3538
MDL Number:
MFCD02083274
IUPAC Name:
1-[(4-methylphenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C20H16N2O/c1-15-7-9-16(10-8-15)14-22-12-11-18(19(13-21)20(22)23)17-5-3-2-4-6-17/h2-12H,14H2,1H3
InChI Key:
QNFWQBCDRZLBDS-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn(c1=O)Cc1ccc(cc1)C)c1ccccc1
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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