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119887-91-1 | 2(1H)-Pyridinone, 3-acetyl-1-(4-chlorophenyl)-4-hydroxy-6-methyl-
CAS No: 119887-91-1 Catalog No: AG000PTF MDL No:
Product Description
Catalog Number:
AG000PTF
Chemical Name:
2(1H)-Pyridinone, 3-acetyl-1-(4-chlorophenyl)-4-hydroxy-6-methyl-
CAS Number:
119887-91-1
Molecular Formula:
C14H12ClNO3
Molecular Weight:
277.7030
IUPAC Name:
3-acetyl-1-(4-chlorophenyl)-4-hydroxy-6-methylpyridin-2-one
InChI:
InChI=1S/C14H12ClNO3/c1-8-7-12(18)13(9(2)17)14(19)16(8)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3
InChI Key:
WCLPWIHCSAYSPW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(C)cc(c(c1=O)C(=O)C)O
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.704g/mol
Monoisotopic Mass:
277.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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