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Substance Name: 4-Pyridinecarboxylic acid, 1-oxide
RN: 13602-12-5
InChIKey: QCWTWMJMLSKQCJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O3

Molecular Weight

  • 139.109
 
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Names and Synonyms

Synonyms

  • 4-Pyridinecarboxylic acid 1-oxide
  • EINECS 237-086-6
  • NSC 63044

Systematic Names

  • 4-Pyridinecarboxylic acid, 1-oxide
  • Pyridin-N-oxide-4-carboxylic acid

Registry Numbers

CAS Registry Number

  • 13602-12-5

System Generated Number

  • 0013602125

Structure Descriptors

InChI

1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)

InChIKey

QCWTWMJMLSKQCJ-UHFFFAOYSA-N

Smiles

c1(C(O)=O)cc[n+]([O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 270-271 deg C   EXP
pKa Dissociation Constant -0.48 (none) 24 EXP
log P (octanol-water) -1.450 (none)   EST
Water Solubility 1.10E+04 mg/L   EXP
Vapor Pressure 5.82E-05 mm Hg 25 EST
Henry's Law Constant 1.42E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.57E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.