| 120850-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 120850-76-2
• 化学式: C₁₄H₁₆O₅
• 分子量: 265.27
• InChiKey: MANNDAYDFQDSEJ-QOWOAITPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  生成
  参考文献：
  名称：

  Electron impact mass spectra of isobenzofurans, isonaphthofurans and some of their Diels-Alder adducts

  摘要：

  AbstractThe mass spectra of a wide variety of substituted isobenzofurans (IBF) have been studied by the direct examination of stable IBFs and IBF ions formed in the retro‐Diels–Alder cleavage of oxabicyclo adducts. In general, the fragmentation patterns observed are very dependent upon the nature and position of substitution. The dimethyl acetylenedkarboxylate adducts also show additional interesting and novel fragmentation pathways that are not IBF related.

  DOI：

  10.1002/oms.1210231102
• 作为产物：
  描述：

  2-endo-carbomethoxy-1,4-epoxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene 在 二氧化碳 、 重水 、 sodium methylate 作用下， 生成
  参考文献：
  名称：

  Keay, B. A.; Rajapaksa, D; Rodrigo, R., Canadian Journal of Chemistry, 1984, vol. 62, p. 1093 - 1098

  摘要：

  DOI：

文献信息

• Keay, B. A.; Rajapaksa, D; Rodrigo, R., Canadian Journal of Chemistry, 1984, vol. 62, p. 1093 - 1098
  作者：Keay, B. A.、Rajapaksa, D、Rodrigo, R.

  DOI：——

  日期：——
• Electron impact mass spectra of isobenzofurans, isonaphthofurans and some of their Diels-Alder adducts
  作者：Peter W. Dibble、Russell Rodrigo

  DOI：10.1002/oms.1210231102

  日期：1988.11

  AbstractThe mass spectra of a wide variety of substituted isobenzofurans (IBF) have been studied by the direct examination of stable IBFs and IBF ions formed in the retro‐Diels–Alder cleavage of oxabicyclo adducts. In general, the fragmentation patterns observed are very dependent upon the nature and position of substitution. The dimethyl acetylenedkarboxylate adducts also show additional interesting and novel fragmentation pathways that are not IBF related.