ethyl potassium oxalate

• ChemBase ID: 297352
• Molecular Formular: C4H5KO4
• Molecular Mass: 156.1784
• Monoisotopic Mass: 155.98249032
• SMILES: CCOC(=O)C(=O)O[K]
• Canonical SMILES: CCOC(=O)C(=O)O[K]
• InChI: InChI=1S/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
• InChIKey: RLPQQBNSTHRHEK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl potassium oxalate
• IUPAC Traditional name: ethyl potassium oxalate
• Synonyms: Potassium ethyl oxalate; Ethyl potassium oxalate

Database IDs

• CAS Number: 1906-57-6
• EC Number: 217-606-8
• MDL Number: MFCD00045861
• PubChem SID: 180682883
• PubChem CID: 23678856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8444
• LogD (pH = 7.4): 1.8444
• Log P: 1.8444
• Molar Refractivity: 23.0287 cm^3
• Polarizability: 12.130121 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-223°C

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 97%