824-40-8 | Picolinic acid n-oxide

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$28.00	$19.00
5g	95%	in stock	$55.00	$39.00
10g	95%	in stock	$73.00	$51.00
25g	95%	in stock	$145.00	$102.00
100g	95%	in stock	$510.00	$357.00

Description

• Catalog Number: AB78362
• Chemical Name: Picolinic acid n-oxide
• CAS Number: 824-40-8
• Molecular Formula: C6H5NO3
• Molecular Weight: 139.1088
• MDL Number: MFCD00006198
• SMILES: OC(=O)c1cccc[n+]1[O-]
• NSC Number: 27961

Computed Properties

• Complexity: 137
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.3

Literature

• Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

  Journal of medicinal chemistry 20110127

• NMR and DFT study on media effects on proton transfer in hydrogen bonding: concept of molecular probe with an application to ionic and super-polar liquids.

  Physical chemistry chemical physics : PCCP 20091014

• Tetra-μ-acetato-bis-[(pyridine N-oxide)copper(II)](Cu-Cu).

  Acta crystallographica. Section E, Structure reports online 20090801

• Aqua-(picolinato N-oxide-κO,O)(pyridine-2,6-dicarboxyl-ato-κO,N,O')iron(III) monohydrate.

  Acta crystallographica. Section E, Structure reports online 20081001

• Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.

  The journal of physical chemistry. A 20080221

• Diaqua-bis(picolinato N-oxide-κO,O')zinc(II).

  Acta crystallographica. Section E, Structure reports online 20080101

• Coordination polymers with end-on azido and pyridine carboxylate N-oxide bridges displaying long-range magnetic ordering with low dimensional character.

  Inorganic chemistry 20060821

• Experimental matrix isolation study and quantum-mechanics-based normal-coordinate analysis of the anharmonic infrared spectrum of picolinic acid N-oxide.

  The journal of physical chemistry. A 20050804

• Threshold bootstrap target factor analysis study of neodymium with pyridine 2,4 dicarboxylic acid N-oxide-an investigation of traceability.

  Talanta 20040528

• Density functional calculation of the 2D potential surface and deuterium isotope effect on 13C chemical shifts in picolinic acid N-oxide. Comparison with experiment.

  Journal of the American Chemical Society 20040407

• Application of cause-and-effect diagrams to the interpretation of UV-Vis spectroscopic data.

  Analytical and bioanalytical chemistry 20020101