(5,6-dimethoxypyridin-2-yl)methanol

• ChemBase编号: 32509
• 分子式: C8H11NO3
• 平均质量: 169.17784
• 单一同位素质量: 169.07389322
• SMILES: c1(c(nc(cc1)CO)OC)OC
• Canonical SMILES: COc1nc(CO)ccc1OC
• InChI: InChI=1S/C8H11NO3/c1-11-7-4-3-6(5-10)9-8(7)12-2/h3-4,10H,5H2,1-2H3
• InChIKey: FASQBELOVBMULV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5,6-dimethoxypyridin-2-yl)methanol
• IUPAC传统名: (5,6-dimethoxypyridin-2-yl)methanol
• 别名: (5,6-Dimethoxypyridin-2-yl)methanol; (5,6-Dimethoxypyridin-2-yl)methanol

登记号

• CAS号: 59081-38-8
• MDL号: MFCD11857655
• PubChem SID: 160995816
• PubChem CID: 45361771

理论计算性质

• Acid pKa: 14.252423
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.34848282
• LogD (pH = 7.4): 0.34880632
• Log P: 0.34881052
• 摩尔折射率: 43.4347 cm^3
• 极化性: 16.963062 Å^3
• 极化表面积: 51.58 Å^2
• 可自由旋转的化学键: 3
• 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): C8H11NO3

详细说明

Sigma Aldrich - ADE000517

Other Notes
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