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1003-73-2 | Pyridine, 3-methyl-, 1-oxide
CAS No: 1003-73-2 Catalog No: AG0001I6 MDL No:MFCD00006203
Product Description
Catalog Number:
AG0001I6
Chemical Name:
Pyridine, 3-methyl-, 1-oxide
CAS Number:
1003-73-2
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00006203
IUPAC Name:
3-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChI Key:
DMGGLIWGZFZLIY-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)C
EC Number:
213-714-4
UNII:
YA9Q5YUG2M
NSC Number:
18254
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:
0.2
Literature
| Title | Journal |
|---|---|
| The oxidation of fullerene[C60] with various amine N-oxides under ultrasonic irradiation. | Ultrasonics 20040401 |
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