ethyl 2-(5-formyl-2-methoxyphenoxy)acetate

• ChemBase编号: 312050
• 分子式: C12H14O5
• 平均质量: 238.23656
• 单一同位素质量: 238.08412355
• SMILES: c1(OCC(=O)OCC)c(ccc(c1)C=O)OC
• Canonical SMILES: CCOC(=O)COc1cc(C=O)ccc1OC
• InChI: InChI=1S/C12H14O5/c1-3-16-12(14)8-17-11-6-9(7-13)4-5-10(11)15-2/h4-7H,3,8H2,1-2H3
• InChIKey: IMYPNIHUTHAJGN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-(5-formyl-2-methoxyphenoxy)acetate
• IUPAC传统名: ethyl 2-(5-formyl-2-methoxyphenoxy)acetate
• 别名: ethyl (5-formyl-2-methoxyphenoxy)acetate

登记号

• CAS号: 51336-38-0
• MDL号: MFCD04219298

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.3510909
• LogD (pH = 7.4): 1.3510909
• Log P: 1.3510909
• 摩尔折射率: 61.1707 cm^3
• 极化性: 23.604897 Å^3
• 极化表面积: 61.83 Å^2