methyl 2,2-diphenylcyclopropane-1-carboxylate

• ChemBase编号: 309817
• 分子式: C17H16O2
• 平均质量: 252.30774
• 单一同位素质量: 252.11502975
• SMILES: C1(C(C1)C(=O)OC)(c1ccccc1)c1ccccc1
• Canonical SMILES: COC(=O)C1CC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H16O2/c1-19-16(18)15-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
• InChIKey: RDCBDWDNFBAQJQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2-diphenylcyclopropane-1-carboxylate
• IUPAC传统名: methyl 2,2-diphenylcyclopropane-1-carboxylate
• 别名: methyl 2,2-diphenylcyclopropanecarboxylate

登记号

• MDL号: MFCD00543344

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.5570188
• LogD (pH = 7.4): 3.5570188
• Log P: 3.5570188
• 摩尔折射率: 84.5201 cm^3
• 极化性: 29.179234 Å^3
• 极化表面积: 26.3 Å^2