dipotassium hydrate [(carboxylatocarbonyl)oxy]cuprio oxalate

• ChemBase ID: 152964
• Molecular Formular: C4H2CuK2O9
• Molecular Mass: 335.79588
• Monoisotopic Mass: 334.8268925
• SMILES: C(=O)(C(=O)O[Cu]OC(=O)C(=O)[O-])[O-].O.[K+].[K+]
• Canonical SMILES: O=C(C(=O)[O-])O[Cu]OC(=O)C(=O)[O-].O.[K+].[K+]
• InChI: InChI=1S/2C2H2O4.Cu.2K.H2O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;1H2/q;;+2;2*+1;/p-4
• InChIKey: BTJGEIXAARTWRJ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium hydrate [(carboxylatocarbonyl)oxy]cuprio oxalate
• IUPAC Traditional name: dipotassium hydrate [(carboxylatocarbonyl)oxy]cuprio oxalate
• Synonyms: Potassium bis(oxalato)cuprate(II) hydrate; 双(草酸根)铜(II)酸钾 水合物

Database IDs

• MDL Number: MFCD04974083
• PubChem SID: 162247105; 24880769
• PubChem CID: 16217290

CALCULATED PROPERTIES

• Acid pKa: 0.9247249
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -6.7394085
• LogD (pH = 7.4): -6.968184
• Log P: 0.3904
• Molar Refractivity: 48.6962 cm^3
• Polarizability: 14.760834 Å^3
• Polar Surface Area: 132.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 260 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 21/22
• Safety Statements: 24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: K2[Cu(C2O4)2] · xH2O

DETAILS

Sigma Aldrich - 575003

Packaging
20 g in glass bottle