6-ethoxypyridine-3-carbaldehyde

• ChemBase编号: 143660
• 分子式: C8H9NO2
• 平均质量: 151.16256
• 单一同位素质量: 151.06332853
• SMILES: CCOc1ccc(cn1)C=O
• Canonical SMILES: CCOc1ccc(cn1)C=O
• InChI: InChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)5-9-8/h3-6H,2H2,1H3
• InChIKey: ROARRKDOMGZNFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethoxypyridine-3-carbaldehyde
• IUPAC传统名: 6-ethoxypyridine-3-carbaldehyde
• 别名: 6-Ethoxynicotinaldehyde; 6-ethoxynicotinaldehyde

登记号

• CAS号: 97455-61-3
• MDL号: MFCD11553587
• PubChem SID: 162237877
• PubChem CID: 15067098

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.2616159
• LogD (pH = 7.4): 1.2616693
• Log P: 1.26167
• 摩尔折射率: 42.0104 cm^3
• 极化性: 15.696236 Å^3
• 极化表面积: 39.19 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H9NO2

详细说明

Sigma Aldrich - CBR00167

Other Notes
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