(E)-N-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydroxylamine

• ChemBase编号: 121756
• 分子式: C10H11NO2
• 平均质量: 177.19984
• 单一同位素质量: 177.0789786
• SMILES: c1(c(OCC=C)cccc1)/C=N/O
• Canonical SMILES: C=CCOc1ccccc1/C=N/O
• InChI: InChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2/b11-8+
• InChIKey: PCWLXHIQGXUSCE-DHZHZOJOSA-N

名称和登记号

名称

• IUPAC标准名: (E)-N-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydroxylamine
• IUPAC传统名: (E)-N-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydroxylamine
• 别名: (E)-2-(allyloxy)benzaldehyde oxime

登记号

• PubChem SID: 162216109
• PubChem CID: 6867701

理论计算性质

• Acid pKa: 7.7612467
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.266149
• LogD (pH = 7.4): 2.1126654
• Log P: 2.2688065
• 摩尔折射率: 52.0896 cm^3
• 极化性: 19.53406 Å^3
• 极化表面积: 41.82 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true