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13959-06-3 | 2(1H)-Pyridinone, 3-acetyl-4-hydroxy-6-methyl-1-phenyl-
CAS No: 13959-06-3 Catalog No: AG001BBT MDL No:
Product Description
Catalog Number:
AG001BBT
Chemical Name:
2(1H)-Pyridinone, 3-acetyl-4-hydroxy-6-methyl-1-phenyl-
CAS Number:
13959-06-3
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one
InChI:
InChI=1S/C14H13NO3/c1-9-8-12(17)13(10(2)16)14(18)15(9)11-6-4-3-5-7-11/h3-8,17H,1-2H3
InChI Key:
OMXKDDUKADMJBN-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)cc(n(c1=O)c1ccccc1)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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