magnesium(2+) ion bis(1,1,1-trifluoro-4-oxopent-2-en-2-olate)

• ChemBase编号: 112772
• 分子式: C10H8F6MgO4
• 平均质量: 330.4635392
• 单一同位素质量: 330.01771976
• SMILES: [Mg+2].CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C(F)(F)F.[O-]/C(=C\C(=O)C)/C(F)(F)F.[Mg+2]
• InChI: InChI=1S/2C5H5F3O2.Mg/c2*1-3(9)2-4(10)5(6,7)8;/h2*2,10H,1H3;/q;;+2/p-2
• InChIKey: IBEXPNWWHIIQCH-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: magnesium(2+) ion bis(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
• IUPAC传统名: magnesium(2+) bis(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
• 别名: TRIFLUOROACETYL ACETONE, MAGNESIUM(II)

登记号

• CAS号: 53633-79-7
• PubChem SID: 162097820
• PubChem CID: 5708557

理论计算性质

• Acid pKa: 3.7207158
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.8360045
• LogD (pH = 7.4): -2.3542204
• Log P: 0.942788
• 摩尔折射率: 39.891098 cm^3
• 极化性: 9.87203 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05225734

MP Biomedicals Rare Chemical collection