copper(2+) ion bis(8-hydroxyquinoline-2-carboxylate)

• ChemBase ID: 110149
• Molecular Formular: C20H12CuN2O6
• Molecular Mass: 439.86508
• Monoisotopic Mass: 438.99913361
• SMILES: [Cu+2].Oc1cccc2ccc(nc12)C(=O)[O-].Oc1cccc2ccc(nc12)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)c1ccc2c(n1)c(O)ccc2.[O-]C(=O)c1ccc2c(n1)c(O)ccc2.[Cu+2]
• InChI: InChI=1S/2C10H7NO3.Cu/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2
• InChIKey: RQBCOKZWUQNLPR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(8-hydroxyquinoline-2-carboxylate)
• IUPAC Traditional name: copper(2+) bis(8-hydroxyquinoline-2-carboxylate)
• Synonyms: COPPER 8-HYDROXYQUINOLATE

Database IDs

• CAS Number: 10380-28-6
• PubChem SID: 162095766
• PubChem CID: 54720975

CALCULATED PROPERTIES

• Acid pKa: 1.2181772
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.12493863
• LogD (pH = 7.4): -1.4082067
• Log P: 1.8707684
• Molar Refractivity: 59.6815 cm^3
• Polarizability: 19.7873 Å^3
• Polar Surface Area: 73.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213921

MP Biomedicals Rare Chemical collection