[3-(hydroxymethyl)azetidin-3-yl]methanol

• ChemBase编号: 310107
• 分子式: C5H11NO2
• 平均质量: 117.14634
• 单一同位素质量: 117.0789786
• SMILES: C1(CNC1)(CO)CO
• Canonical SMILES: OCC1(CO)CNC1
• InChI: InChI=1S/C5H11NO2/c7-3-5(4-8)1-6-2-5/h6-8H,1-4H2
• InChIKey: JAXQPBINKGFTPK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(hydroxymethyl)azetidin-3-yl]methanol
• IUPAC传统名: [3-(hydroxymethyl)azetidin-3-yl]methanol
• 别名: 3,3-azetidinediyldimethanol

理论计算性质

• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -5.0102205
• LogD (pH = 7.4): -3.6991413
• Log P: -1.8943108
• 摩尔折射率: 29.8985 cm^3
• 极化性: 12.004493 Å^3
• 极化表面积: 52.49 Å^2