4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde

• ChemBase编号: 312603
• 分子式: C11H12O2
• 平均质量: 176.21178
• 单一同位素质量: 176.08372962
• SMILES: C(=C)(COc1ccc(C=O)cc1)C
• Canonical SMILES: O=Cc1ccc(cc1)OCC(=C)C
• InChI: InChI=1S/C11H12O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-7H,1,8H2,2H3
• InChIKey: ISGPWHIMOVCRRQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• IUPAC传统名: 4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• 别名: 4-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde

登记号

• CAS号: 38002-91-4
• MDL号: MFCD00845682

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.502688
• LogD (pH = 7.4): 2.502688
• Log P: 2.502688
• 摩尔折射率: 52.5499 cm^3
• 极化性: 20.023827 Å^3
• 极化表面积: 26.3 Å^2