benzene;1H-pyrazole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: benzene;1H-pyrazole-5-carboxylic acid
• 化学式: C14H14N4O4
• 分子量: 302.29
• InChiKey: RXLGYTVEJIOVHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• METAL-ORGANIC FRAMEWORK FOR THE SEPARATION OF ALKANE ISOMERS
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20150307419A1

  公开（公告）日：2015-10-29

  A metal organic framework Fe 2 (bdp) 3 (BDP 2− =1,4-benzenedipyrazolate) with triangular channels is particularly suited for C5-C7 separations of alkanes according to the number of branches in the molecule rather than by carbon number. The metal-organic framework can offer pore geometries that is unavailable in zeolites or other porous media, facilitating distinct types of shape-based molecular separations.
• US9540294B2
  申请人：——

  公开号：US9540294B2

  公开（公告）日：2017-01-10
• [EN] METAL-ORGANIC FRAMEWORK FOR THE SEPARATION OF ALKANE ISOMERS<br/>[FR] STRUCTURE MÉTAL-COMPOSÉ ORGANIQUE POUR LA SÉPARATION D'ISOMÈRES D'ALCANE
  申请人：UNIV CALIFORNIA

  公开号：WO2014071351A1

  公开（公告）日：2014-05-08

  A metal organic framework Fe2(bdp)3 (BDP2- = 1,4-benzenedipyrazolate) with triangular channels is particularly suited for C5-C7 separations of alkanes according to the number of branches in the molecule rather than by carbon number. The metal-organic framework can offer pore geometries that is unavailable in zeolites or other porous media, facilitating distinct types of shape-based molecular separations.