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89572-56-5 | 2(1H)-Pyridinone, 3-acetyl-6-(3,4-dimethylphenyl)-4-phenyl-
CAS No: 89572-56-5 Catalog No: AG003XX5 MDL No:
Product Description
Catalog Number:
AG003XX5
Chemical Name:
2(1H)-Pyridinone, 3-acetyl-6-(3,4-dimethylphenyl)-4-phenyl-
CAS Number:
89572-56-5
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
IUPAC Name:
3-acetyl-6-(3,4-dimethylphenyl)-4-phenyl-1H-pyridin-2-one
InChI:
InChI=1S/C21H19NO2/c1-13-9-10-17(11-14(13)2)19-12-18(16-7-5-4-6-8-16)20(15(3)23)21(24)22-19/h4-12H,1-3H3,(H,22,24)
InChI Key:
DAAKPXULBSIYON-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(=O)[nH]c(cc1c1ccccc1)c1ccc(c(c1)C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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