copper(2+) ion bis(prop-2-enoate)

• ChemBase ID: 303618
• Molecular Formular: C6H6CuO4
• Molecular Mass: 205.65544
• Monoisotopic Mass: 204.95620617
• SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Cu+2]
• Canonical SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Cu+2]
• InChI: InChI=1S/2C3H4O2.Cu/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
• InChIKey: XPLSDXJBKRIVFZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(prop-2-enoate)
• IUPAC Traditional name: copper(2+) ion diacrylate
• Synonyms: Copper(II) acrylate; 丙烯酸铜(II)

Database IDs

• CAS Number: 20074-76-4
• EC Number: 243-503-2
• MDL Number: MFCD00078371

CALCULATED PROPERTIES

• Acid pKa: 4.7158084
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.31655344
• LogD (pH = 7.4): -2.0941725
• Log P: 0.5329473
• Molar Refractivity: 28.1285 cm^3
• Polarizability: 6.463116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: typically 95%