copper(2+) ion dialumanoylolate

• ChemBase ID: 135742
• Molecular Formular: Al2CuH2O4
• Molecular Mass: 183.522556
• Monoisotopic Mass: 182.8879833
• SMILES: [O-][AlH]=O.[O-][AlH]=O.[Cu+2]
• Canonical SMILES: [O-][AlH]=O.[O-][AlH]=O.[Cu+2]
• InChI: InChI=1S/2Al.Cu.4O/q;;+2;;;2*-1
• InChIKey: IPJRADJOSNLGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion dialumanoylolate
• IUPAC Traditional name: copper(2+) ion dialumanoylolate
• Synonyms: Copper aluminate; Copper aluminum oxide; 铝酸铜; 氧化铝合铜

Database IDs

• CAS Number: 12042-92-1
• EC Number: 234-934-7
• MDL Number: MFCD00210610
• PubChem SID: 162230015; 24882619
• PubChem CID: 12947132

CALCULATED PROPERTIES

• Acid pKa: 3.0
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5039775
• LogD (pH = 7.4): -1.698255
• Log P: 0.5624
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 3.6723542 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder; nanopowder

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98.5% trace metals basis; 99.5% (metals basis)
• Particle Size: <100 nm (BET); <50 nm (XRD)
• Linear Formula: CuAl2O4