2-hydroxy-3-methyl-benzoic acid-(4-nitro-phenyl ester) | 854453-04-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-hydroxy-3-methyl-benzoic acid-(4-nitro-phenyl ester)
• 英文别名: 2-Hydroxy-3-methyl-benzoesaeure-(4-nitro-phenylester)；(4-nitrophenyl) 2-hydroxy-3-methylbenzoate
• CAS: 854453-04-6
• 化学式: C₁₄H₁₁NO₅
• 分子量: 273.245
• InChiKey: RIVRYUBDMXZTAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  89.67
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-3-methyl-benzoic acid-(4-nitro-phenyl ester) 在 sodium hydroxide 作用下， 生成 3-methyl-2-(4-nitro-phenoxy)-benzoic acid
  参考文献：
  名称：

  357.水杨酸芳基酯的重排

  摘要：

  DOI：

  10.1039/jr9380001897
• 作为产物：
  描述：

  对硝基苯酚 、 3-甲基水杨酸 在 五氯化磷 、 xylene 作用下， 生成 2-hydroxy-3-methyl-benzoic acid-(4-nitro-phenyl ester)
  参考文献：
  名称：

  357.水杨酸芳基酯的重排

  摘要：

  DOI：

  10.1039/jr9380001897

文献信息

• Singularity analysis of geometric constraint systems
  作者：Xiaobo Peng、Liping Chen、Fanli Zhou、Ji Zhou

  DOI：10.1007/bf02947309

  日期：2002.5

  Singularity analysis is an important subject of the geometric constraint satisfaction problem. In this paper, three kinds of singularities are described and corresponding identification methods are presented for both under-constrained systems and over-constrained systems. Another special but common singularity for under-constrained geometric systems, pseudo-singularity, is analyzed. Pseudo-singularity is caused by a variety of constraint matching of under-constrained systems and can be removed by improving constraint distribution. To avoid pseudo-singularity and decide redundant constraints adaptively, a differentiation algorithm is proposed in the paper. Its correctness and efficiency have been validated through its practical applications in a 2D/3D geometric constraint solver CBA.