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3279-76-3 | 2(1H)-Pyridinone, 6-methyl-
CAS No: 3279-76-3 Catalog No: AG00I692 MDL No:MFCD00006279
Product Description
Catalog Number:
AG00I692
Chemical Name:
2(1H)-Pyridinone, 6-methyl-
CAS Number:
3279-76-3
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00006279
IUPAC Name:
6-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
InChI Key:
JEAVIRYCMBDJIU-UHFFFAOYSA-N
SMILES:
Cc1cccc(=O)[nH]1
EC Number:
221-919-5
UNII:
TN77J7TM32
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Influence of second coordination sphere hydroxyl groups on the reactivity of copper(I) complexes. | Inorganic chemistry 20120416 |
| Reactions of substituted pyridines with electrophilic boranes. | Dalton transactions (Cambridge, England : 2003) 20120221 |
| The S1/S2 exciton interaction in 2-pyridone·6-methyl-2-pyridone: Davydov splitting, vibronic coupling, and vibronic quenching. | The Journal of chemical physics 20111021 |
| Substitution chemistry of MM quadruply bonded complexes (M = Mo or W) supported by the anion of 2-hydroxy-6-methylpyridine. | Dalton transactions (Cambridge, England : 2003) 20070514 |
| Cocrystals composed of 4,4'-(fluorene-9,9-diyl)diphenol and 6-methyl-2H-pyridone. | Acta crystallographica. Section C, Crystal structure communications 20070201 |
| 6-Methyl-2-pyridone: an elusive structure finally solved. | Acta crystallographica. Section C, Crystal structure communications 20050601 |
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