potassium oxalic acid hydrogen oxalate

• ChemBase ID: 175897
• Molecular Formular: C4H3KO8
• Molecular Mass: 218.16012
• Monoisotopic Mass: 217.94649874
• SMILES: C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.[K+]
• Canonical SMILES: OC(=O)C(=O)O.[O-]C(=O)C(=O)O.[K+]
• InChI: InChI=1S/2C2H2O4.K/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+1/p-1
• InChIKey: GANDVAJEIJXBQJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium oxalic acid hydrogen oxalate
• IUPAC Traditional name: potassium oxalic acid hydrogen oxalate
• Synonyms: Ethanedioic Acid Potassium Salt Hydrate; Potassium Oxalate Dihydrate; Potassium Tetroxalate Dihydrate; Oxalic Acid Hemipotassium Salt; Oxalic Acid Potassium Salt Dihydrate

Database IDs

• CAS Number: 6100-20-5
• PubChem SID: 164231807
• PubChem CID: 22474

CALCULATED PROPERTIES

• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467

DETAILS

Toronto Research Chemicals - O845125

A method of utilizing a solution of Oxalic acid potassium salt, dihydrate 99 % to react with calcium in the dentinal fluid forming an insoluble white precipitate of calcium oxalate which occludes the dentinal tubules causing decreased sensitivity, permeab

REFERENCES

• Haas, D.J., et al.: Acta Crystallographica, 17, 1511 (1964)