dicopper(2+) ion dihydroxide carbonate

• ChemBase ID: 303159
• Molecular Formular: CH2Cu2O5
• Molecular Mass: 221.11558
• Monoisotopic Mass: 219.84941816
• SMILES: C(=O)([O-])[O-].[OH-].[OH-].[Cu+2].[Cu+2]
• Canonical SMILES: [O-]C(=O)[O-].[OH-].[OH-].[Cu+2].[Cu+2]
• InChI: InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4
• InChIKey: ZMMDPCMYTCRWFF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dicopper(2+) ion dihydroxide carbonate
• IUPAC Traditional name: dicopper(2+) ion dihydroxide carbonate
• Synonyms: Copper(II) carbonate, basic; Copper(II) hydroxide carbonate; Copper(II) carbonate dihydroxide; 碳酸二羟铜(II)

Database IDs

• CAS Number: 12069-69-1
• EC Number: 235-113-6
• MDL Number: MFCD00010976
• Merck Index: 142631

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 200°C dec.
• Density: 4.00

Safety Information

• RTECS: GL6910000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: Cu 55% min