2-(2-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase编号: 312548
• 分子式: C14H17NO4
• 平均质量: 263.28908
• 单一同位素质量: 263.11575803
• SMILES: C(=O)(NCC1OCCC1)COc1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1OCC(=O)NCC1CCCO1
• InChI: InChI=1S/C14H17NO4/c16-9-11-4-1-2-6-13(11)19-10-14(17)15-8-12-5-3-7-18-12/h1-2,4,6,9,12H,3,5,7-8,10H2,(H,15,17)
• InChIKey: HABFXQKGBYGWBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC传统名: 2-(2-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
• 别名: 2-(2-formylphenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide

登记号

• CAS号: 915923-40-9
• MDL号: MFCD08442978

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.8413827
• LogD (pH = 7.4): 0.8413827
• Log P: 0.8413827
• 摩尔折射率: 70.1634 cm^3
• 极化性: 26.994413 Å^3
• 极化表面积: 64.63 Å^2