furo[3,2-b]pyridin-2-ylmethanol

• ChemBase编号: 33028
• 分子式: C8H7NO2
• 平均质量: 149.14668
• 单一同位素质量: 149.04767847
• SMILES: c1cnc2c(c1)oc(c2)CO
• Canonical SMILES: OCc1cc2c(o1)cccn2
• InChI: InChI=1S/C8H7NO2/c10-5-6-4-7-8(11-6)2-1-3-9-7/h1-4,10H,5H2
• InChIKey: OIMBQDHQXBDNFX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furo[3,2-b]pyridin-2-ylmethanol
• IUPAC传统名: furo[3,2-b]pyridin-2-ylmethanol
• 别名: Furo[3,2-b]pyridin-2-ylmethanol; Furo[3,2-b]pyridin-2-ylmethanol

登记号

• CAS号: 162537-61-3
• MDL号: MFCD11857747
• PubChem SID: 160996335
• PubChem CID: 21113139

理论计算性质

• Acid pKa: 13.612514
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.45213407
• LogD (pH = 7.4): 0.45318478
• Log P: 0.45319846
• 摩尔折射率: 39.0636 cm^3
• 极化性: 16.270563 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): C8H7NO2

详细说明

Sigma Aldrich - ADE001139

Other Notes
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