N-(4-hydroxyphenyl)oxolane-2-carboxamide

• ChemBase编号: 312106
• 分子式: C11H13NO3
• 平均质量: 207.22582
• 单一同位素质量: 207.08954328
• SMILES: C(=O)(Nc1ccc(cc1)O)C1OCCC1
• Canonical SMILES: O=C(C1CCCO1)Nc1ccc(cc1)O
• InChI: InChI=1S/C11H13NO3/c13-9-5-3-8(4-6-9)12-11(14)10-2-1-7-15-10/h3-6,10,13H,1-2,7H2,(H,12,14)
• InChIKey: CMEHSQAUWFGBLA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4-hydroxyphenyl)oxolane-2-carboxamide
• IUPAC传统名: N-(4-hydroxyphenyl)oxolane-2-carboxamide
• 别名: N-(4-hydroxyphenyl)tetrahydro-2-furancarboxamide

登记号

• CAS号: 832108-47-1
• MDL号: MFCD06091788

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.3509728
• LogD (pH = 7.4): 1.3470463
• Log P: 1.3510231
• 摩尔折射率: 56.6416 cm^3
• 极化性: 21.31923 Å^3
• 极化表面积: 58.56 Å^2