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1003-67-4 | Pyridine, 4-methyl-, 1-oxide
CAS No: 1003-67-4 Catalog No: AG0001I8 MDL No:MFCD00006210
Product Description
Catalog Number:
AG0001I8
Chemical Name:
Pyridine, 4-methyl-, 1-oxide
CAS Number:
1003-67-4
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00006210
IUPAC Name:
4-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChI Key:
IWYYIZOHWPCALJ-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)C
EC Number:
213-712-3
UNII:
QIY3009LEH
Properties
Complexity:
66.9
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:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Amide-N-oxide heterosynthon and amide dimer homosynthon in cocrystals of carboxamide drugs and pyridine N-oxides. | Molecular pharmaceutics 20070101 |
| Synthesis, Biological, Spectral, and Thermal Investigations of Cobalt(II) and Nickel(II) Complexes of N-Isonicotinamido -2',4'-Dichlorobenzalaldimine. | Bioinorganic chemistry and applications 20060101 |
| On the gas-phase reactivity of complexed OH+ with halogenated alkanes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20041217 |
| A non-radical chain mechanism for oxygen atom transfer with a thiorhenium(V) catalyst. | Inorganic chemistry 20031215 |
| Methyloxorhenium(V) complexes with two bidentate ligands: syntheses and reactivity studies. | Inorganic chemistry 20021230 |
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