furo[3,2-b]pyridin-6-ol

• ChemBase编号: 44945
• 分子式: C7H5NO2
• 平均质量: 135.1201
• 单一同位素质量: 135.03202841
• SMILES: c1(cnc2c(c1)occ2)O
• Canonical SMILES: Oc1cnc2c(c1)occ2
• InChI: InChI=1S/C7H5NO2/c9-5-3-7-6(8-4-5)1-2-10-7/h1-4,9H
• InChIKey: OLHWCNQIOPVTNP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furo[3,2-b]pyridin-6-ol
• IUPAC传统名: furo[3,2-b]pyridin-6-ol
• 别名: Furo[3,2-b]pyridin-6-ol; Furo[3,2-b]pyridin-6-ol

登记号

• CAS号: 1171920-19-6
• MDL号: MFCD12401654
• PubChem SID: 162049708
• PubChem CID: 46737910

理论计算性质

• Acid pKa: 8.958
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.99462336
• LogD (pH = 7.4): 0.98532933
• Log P: 0.9969818
• 摩尔折射率: 34.3511 cm^3
• 极化性: 14.418014 Å^3
• 极化表面积: 46.26 Å^2
• 可自由旋转的化学键: 0
• 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): C7H5NO2

详细说明

Sigma Aldrich - ADE001146

Other Notes
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