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1003-68-5

1003-68-5 | 2(1H)-Pyridinone, 5-methyl-

CAS No: 1003-68-5 Catalog No: AG0001I7 MDL No:MFCD00955788

Product Description

Catalog Number:
AG0001I7
Chemical Name:
2(1H)-Pyridinone, 5-methyl-
CAS Number:
1003-68-5
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00955788
IUPAC Name:
5-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChI Key:
SOHMZGMHXUQHGE-UHFFFAOYSA-N
SMILES:
Cc1ccc(=O)[nH]c1
UNII:
C173P2D70Y

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:
0.1  

Literature

Title Journal
5-Methyl-2-pyridone. Acta crystallographica. Section E, Structure reports online 20110901
Solid-state phase transition of an inclusion complex of 5-methyl-2-pyridone with 1,3,5-benzenetricarboxylic acid. Angewandte Chemie (International ed. in English) 20060911
A new [2 + 2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1'-biphenyl-2,2'-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component. Chemical communications (Cambridge, England) 20050207
[Effects of 1-(3-fluorophenyl)-5-methyl-2-(1H)-pyridone on renal fibroblast in rats]. Zhong nan da xue xue bao. Yi xue ban = Journal of Central South University. Medical sciences 20040401

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