3-ethenyl-2-methoxy-5-methylpyridine

• ChemBase编号: 51604
• 分子式: C9H11NO
• 平均质量: 149.18974
• 单一同位素质量: 149.08406398
• SMILES: c1(cnc(c(c1)C=C)OC)C
• Canonical SMILES: C=Cc1cc(C)cnc1OC
• InChI: InChI=1S/C9H11NO/c1-4-8-5-7(2)6-10-9(8)11-3/h4-6H,1H2,2-3H3
• InChIKey: WVBQUZUHAQVRQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-ethenyl-2-methoxy-5-methylpyridine
• IUPAC传统名: 3-ethenyl-2-methoxy-5-methylpyridine
• 别名: 2-Methoxy-5-methyl-3-vinylpyridine; 2-Methoxy-5-methyl-3-vinylpyridine

登记号

• MDL号: MFCD15530277
• PubChem SID: 162056367
• PubChem CID: 46318140

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.439622
• LogD (pH = 7.4): 2.442447
• Log P: 2.4424832
• 摩尔折射率: 45.4053 cm^3
• 极化性: 17.236855 Å^3
• 极化表面积: 22.12 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

• Empirical Formula (Hill Notation): C9H11NO

详细说明

Sigma Aldrich - ADE000789

Other Notes
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包装
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