copper(2+) ion bis(propan-2-olate)

• ChemBase ID: 303202
• Molecular Formular: C6H14CuO2
• Molecular Mass: 181.72016
• Monoisotopic Mass: 181.02897719
• SMILES: CC(C)[O-].CC(C)[O-].[Cu+2]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[Cu+2]
• InChI: InChI=1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
• InChIKey: VNGORJHUDAPOQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(propan-2-olate)
• IUPAC Traditional name: copper(2+) ion bis(propan-2-olate)
• Synonyms: Copper(II) isopropoxide; 异丙醇铜(II)

Database IDs

• CAS Number: 23578-23-6
• MDL Number: MFCD00074982

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN3180
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338-P337+P313

Product Information

• Purity: 98% (metals basis)