copper(2+) ion bis(naphthalene-2-carboxylate)

• ChemBase ID: 108646
• Molecular Formular: C22H14CuO4
• Molecular Mass: 405.89016
• Monoisotopic Mass: 405.01880643
• SMILES: [Cu+2].[O-]C(=O)c1ccc2ccccc2c1.[O-]C(=O)c1ccc2ccccc2c1
• Canonical SMILES: [O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[Cu+2]
• InChI: InChI=1S/2C11H8O2.Cu/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
• InChIKey: OHGJVAFVIMGJTE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(naphthalene-2-carboxylate)
• IUPAC Traditional name: copper(2+) bis(2-naphthoate)
• Synonyms: CUPRIC NAPHTHENATE

Database IDs

• CAS Number: 1338-02-9
• PubChem SID: 162094678
• PubChem CID: 15607801

CALCULATED PROPERTIES

• Acid pKa: 3.9893572
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1006031
• LogD (pH = 7.4): -0.5448371
• Log P: 2.6203055
• Molar Refractivity: 60.6015 cm^3
• Polarizability: 20.10069 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.00 g/ml

Safety Information

• RTECS: QK9100000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:10-22-50/53
• Safety Statements: S:60-61

DETAILS

MP Biomedicals - 05208172

MP Biomedicals Rare Chemical collection