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16151-14-7 | 2(1H)-Pyridinone, 3-acetyl-4,6-dimethyl-
CAS No: 16151-14-7 Catalog No: AG001VNA MDL No:MFCD00775755
Product Description
Catalog Number:
AG001VNA
Chemical Name:
2(1H)-Pyridinone, 3-acetyl-4,6-dimethyl-
CAS Number:
16151-14-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00775755
IUPAC Name:
3-acetyl-4,6-dimethyl-1H-pyridin-2-one
InChI:
InChI=1S/C9H11NO2/c1-5-4-6(2)10-9(12)8(5)7(3)11/h4H,1-3H3,(H,10,12)
InChI Key:
FPZYYMHZCULYSO-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)cc([nH]c1=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A novel redox reaction between 8-Aza-5,7-dimethyl-2-trifluoromethylchromone and alkyl mercaptoacetates. Facile synthesis of CF3-containing 2-pyridone derivatives. | The Journal of organic chemistry 20041126 |
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