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1003-56-1 | 2(1H)-Pyridinone, 3-methyl-
CAS No: 1003-56-1 Catalog No: AG0001IE MDL No:MFCD00039704
Product Description
Catalog Number:
AG0001IE
Chemical Name:
2(1H)-Pyridinone, 3-methyl-
CAS Number:
1003-56-1
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00039704
IUPAC Name:
3-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
InChI Key:
MVKDNXIKAWKCCS-UHFFFAOYSA-N
SMILES:
O=c1[nH]cccc1C
EC Number:
213-710-2
UNII:
VM19FN4HHV
NSC Number:
4343
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 |
|---|---|
| Non-aggregated Ga(III)-phthalocyanines in the photodynamic inactivation of planktonic and biofilm cultures of pathogenic microorganisms. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20110101 |
| Synthesis and phytotoxic activity of new pyridones derived from 4-hydroxy-6-methylpyridin-2(1H)-one. | Molecules (Basel, Switzerland) 20091201 |
| Spectroscopic studies on methyl torsional behavior in 1-methyl-2(1H)-pyridone, 1-methyl-2(1H)-pyridinimine, and 3-methyl-2(1H)-pyridone. I. Excited state. | The Journal of chemical physics 20070321 |
| Origin of methyl torsional barrier in 1-methyl-2(1H)-pyridinimine and 3-methyl-2(1H)-pyridone: II. Ground state. | The Journal of chemical physics 20070321 |
| Polaronic semiconductor behavior of long-range charge transfer in DNA oligomers in solution: controlling barriers to long-distance radical cation migration in DNA with thymine analogs. | Faraday discussions 20060101 |
| Synthesis of a dA-dT base pair analogue and its effects on DNA-ligand binding. | Bioorganic chemistry 20010801 |
| Minor groove functional groups are critical for the B-form conformation of duplex DNA. | Biochemistry 20010130 |
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