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7216-40-2 | 2-Pyridinecarboxaldehyde, 1-oxide
CAS No: 7216-40-2 Catalog No: AG005VU7 MDL No:
Product Description
Catalog Number:
AG005VU7
Chemical Name:
2-Pyridinecarboxaldehyde, 1-oxide
CAS Number:
7216-40-2
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
IUPAC Name:
1-oxidopyridin-1-ium-2-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-5-6-3-1-2-4-7(6)9/h1-5H
InChI Key:
PTXWAWIYGFDGMU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc[n+]1[O-]
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Magnetic properties of a manganese(II) trinuclear complex involving a tridentate Schiff-Base ligand. | Inorganic chemistry 20070305 |
| Bisoxazoline-Lewis acid-catalyzed direct-electron demand oxo-hetero-Diels-Alder reactions of N-oxy-pyridine aldehyde and ketone derivatives. | The Journal of organic chemistry 20070105 |
| Bis(oxazoline) Lewis acid catalyzed aldol reactions of pyridine N-oxide aldehydes--synthesis of optically active 2-(1-hydroxyalkyl)pyridine derivatives: development, scope, and total synthesis of an indolizine alkaloid. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060424 |
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