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89517-86-2 | 2(1H)-Pyridinone, 3-acetyl-6-hydroxy-1-(2-methoxyphenyl)-4-methyl-
CAS No: 89517-86-2 Catalog No: AG0040PG MDL No:
Product Description
Catalog Number:
AG0040PG
Chemical Name:
2(1H)-Pyridinone, 3-acetyl-6-hydroxy-1-(2-methoxyphenyl)-4-methyl-
CAS Number:
89517-86-2
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
5-acetyl-6-hydroxy-1-(2-methoxyphenyl)-4-methylpyridin-2-one
InChI:
InChI=1S/C15H15NO4/c1-9-8-13(18)16(15(19)14(9)10(2)17)11-6-4-5-7-12(11)20-3/h4-8,19H,1-3H3
InChI Key:
KBACGPMKUYNGCZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1c(O)cc(c(c1=O)C(=O)C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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