zinc(2+) ion bis((2Z)-4-oxopent-2-en-2-olate) hydrate

• ChemBase ID: 302894
• Molecular Formular: C10H16O5Zn
• Molecular Mass: 281.61104
• Monoisotopic Mass: 280.02891561
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O.[Zn+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.O.[Zn+2]
• InChI: InChI=1S/2C5H8O2.H2O.Zn/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2/b2*4-3-
• InChIKey: KUJHAYOLESEVSA-SUKNRPLKSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis((2Z)-4-oxopent-2-en-2-olate) hydrate
• IUPAC Traditional name: zinc(2+) ion bis((2Z)-4-oxopent-2-en-2-olate) hydrate
• Synonyms: Zinc acetylacetonate; Bis(acetylacetonato)zinc(II) monohydrate; Zinc 2,4-pentanedionate monohydrate; 乙酰丙酮锌一水合物

Database IDs

• CAS Number: 14363-15-6
• EC Number: 237-860-3
• MDL Number: MFCD00000035

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in alcohol. Slightly soluble in water
• Apperance: Crystalline
• Melting Point: 136-138°C dec.
• Density: 1.6

Safety Information

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