5,6-dimethoxypyridin-3-ol

• ChemBase编号: 44934
• 分子式: C7H9NO3
• 平均质量: 155.15126
• 单一同位素质量: 155.05824315
• SMILES: c1(cnc(c(c1)OC)OC)O
• Canonical SMILES: COc1cc(O)cnc1OC
• InChI: InChI=1S/C7H9NO3/c1-10-6-3-5(9)4-8-7(6)11-2/h3-4,9H,1-2H3
• InChIKey: COWBNHGISFUPHE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,6-dimethoxypyridin-3-ol
• IUPAC传统名: 5,6-dimethoxypyridin-3-ol
• 别名: 5,6-Dimethoxypyridin-3-ol; 5,6-Dimethoxypyridin-3-ol

登记号

• MDL号: MFCD12922772
• PubChem SID: 162049697
• PubChem CID: 18788642

理论计算性质

• Acid pKa: 9.210989
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.73042524
• LogD (pH = 7.4): 0.7245742
• Log P: 0.7311231
• 摩尔折射率: 39.1219 cm^3
• 极化性: 15.126267 Å^3
• 极化表面积: 51.58 Å^2
• 可自由旋转的化学键: 2
• 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C7H9NO3

详细说明

Sigma Aldrich - ADE000711

Other Notes
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