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Home > Pyridines > 478067-22-0
478067-22-0 | 1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 478067-22-0 Catalog No: AG00IVKZ MDL No:MFCD01814536
Product Description
Catalog Number:
AG00IVKZ
Chemical Name:
1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
478067-22-0
Molecular Formula:
C20H16N2O2
Molecular Weight:
316.3532
MDL Number:
MFCD01814536
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C20H16N2O2/c1-24-17-9-7-15(8-10-17)14-22-12-11-18(19(13-21)20(22)23)16-5-3-2-4-6-16/h2-12H,14H2,1H3
InChI Key:
MVZQBGUKZVQQIX-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn(c1=O)Cc1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.36g/mol
Monoisotopic Mass:
316.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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