{5-methylfuro[2,3-b]pyridin-2-yl}methanol

• ChemBase编号: 51688
• 分子式: C9H9NO2
• 平均质量: 163.17326
• 单一同位素质量: 163.06332853
• SMILES: c1(cnc2c(c1)cc(o2)CO)C
• Canonical SMILES: OCc1cc2c(o1)ncc(c2)C
• InChI: InChI=1S/C9H9NO2/c1-6-2-7-3-8(5-11)12-9(7)10-4-6/h2-4,11H,5H2,1H3
• InChIKey: GIGQFINHHUTCAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {5-methylfuro[2,3-b]pyridin-2-yl}methanol
• IUPAC传统名: {5-methylfuro[2,3-b]pyridin-2-yl}methanol
• 别名: (5-Methylfuro[2,3-b]pyridin-2-yl)methanol; (5-Methylfuro[2,3-b]pyridin-2-yl)methanol

登记号

• MDL号: MFCD16628267
• PubChem SID: 162056451
• PubChem CID: 49761650

理论计算性质

• Acid pKa: 13.6517725
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.94823
• LogD (pH = 7.4): 0.94823134
• Log P: 0.9482316
• 摩尔折射率: 44.4294 cm^3
• 极化性: 17.365234 Å^3
• 极化表面积: 46.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C9H9NO2

详细说明

Sigma Aldrich - ADE001206

Other Notes
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