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

• ChemBase ID: 303619
• Molecular Formular: C6H6O4Zn
• Molecular Mass: 207.48944
• Monoisotopic Mass: 205.95575067
• SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2]
• Canonical SMILES: C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2]
• InChI: InChI=1S/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
• InChIKey: XKMZOFXGLBYJLS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(prop-2-enoate)
• IUPAC Traditional name: zinc(2+) ion diacrylate
• Synonyms: Zinc acrylate; 丙烯酸锌

Database IDs

• CAS Number: 14643-87-9
• EC Number: 238-692-3
• MDL Number: MFCD00067208

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
• Melting Point: ^=250°C
• Density: 1.6

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36/37/38-50/53
• Safety Statements: 26-36/37-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H315-H319-H335-H400-H410
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A