gallium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 303648
• Molecular Formular: C15H24GaO6
• Molecular Mass: 370.07046
• Monoisotopic Mass: 369.08286149
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[GaH3+3]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[GaH3+3]
• InChI: InChI=1S/3C5H8O2.Ga/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: ZVYYAYJIGYODSD-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gallium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: gallium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Gallium(III) acetylacetonate; Gallium(III) 2,4-pentanedionate; 乙酰丙酮镓(III)

Database IDs

• CAS Number: 14405-43-7
• EC Number: 238-377-0
• MDL Number: MFCD00013492

CALCULATED PROPERTIES

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

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 196-198°C dec.
• Density: 1.42

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99.99% (metals basis)