2-methoxy-5-methylpyridin-3-ol

• ChemBase编号: 51602
• 分子式: C7H9NO2
• 平均质量: 139.15186
• 单一同位素质量: 139.06332853
• SMILES: c1(cnc(c(c1)O)OC)C
• Canonical SMILES: COc1ncc(cc1O)C
• InChI: InChI=1S/C7H9NO2/c1-5-3-6(9)7(10-2)8-4-5/h3-4,9H,1-2H3
• InChIKey: JRDKEJRENRFMIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-5-methylpyridin-3-ol
• IUPAC传统名: 2-methoxy-5-methylpyridin-3-ol
• 别名: 2-Methoxy-5-methylpyridin-3-ol; 2-Methoxy-5-methylpyridin-3-ol

登记号

• CAS号: 1227574-65-3
• MDL号: MFCD15530275
• PubChem SID: 162056365
• PubChem CID: 46318123

理论计算性质

• Acid pKa: 9.341679
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.3958396
• LogD (pH = 7.4): 1.3972604
• Log P: 1.4022157
• 摩尔折射率: 37.6999 cm^3
• 极化性: 14.335472 Å^3
• 极化表面积: 42.35 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C7H9NO2

详细说明

Sigma Aldrich - ADE000770

Other Notes
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