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931-19-1 | 2-Picoline-N-oxide
CAS No: 931-19-1 Catalog No: AG0033FJ MDL No:MFCD00006199
Product Description
Catalog Number:
AG0033FJ
Chemical Name:
2-Picoline-N-oxide
CAS Number:
931-19-1
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00006199
IUPAC Name:
2-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI Key:
CFZKDDTWZYUZKS-UHFFFAOYSA-N
SMILES:
Cc1cccc[n+]1[O-]
EC Number:
213-230-3
UNII:
G41PJ47D1I
NSC Number:
18253
Properties
Complexity:
74.9
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:
0.3
Literature
| Title | Journal |
|---|---|
| New oxorhenium(V) compound for catalyzed oxygen atom transfer from picoline N-oxide to triarylphosphines. | Inorganic chemistry 20050404 |
| Multielectron atom transfer reactions of perchlorate and other substrates catalyzed by rhenium oxazoline and thiazoline complexes: reaction kinetics, mechanisms, and density functional theory calculations. | Inorganic chemistry 20040628 |
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