| 1601300-07-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1601300-07-5
• 化学式: C₉H₇NO
• 分子量: 146.153
• InChiKey: LISFMEBWQUVKPJ-DYCDLGHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.86
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-喹啉醇 在 重水 作用下， 生成
  参考文献：
  名称：

  Extremely strong temperature-dependent Davydow-splitting effects in the polarized IR spectra of the hydrogen bond: Pyrazole and quinolin-2(1H)-one crystals

  摘要：

  Polarized IR spectra were recorded in the spectral range of the v(N-H) and v(N-D) proton stretching vibration bands for the isotopically neat and isotopically diluted crystals of pyrazole (Pzl) and quinolin-2(1H)-one (2HQ). The spectra measured in the temperature range of 77-293 K have shown that temperature extremely strongly influenced the magnitude of the Davydow-splitting effects in the crystalline spectra. Two different competing vibrational Davydow-coupling mechanisms involving hydrogen bonds, i.e., the 'tail-to-head' and the 'side-to-side', were responsible for the generation of the temperature effects in the polarized spectra. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.cplett.2014.03.018