(4-Hydroxy-3-methoxyphenyl)methyl 2-oxopropanoate | 112240-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (4-Hydroxy-3-methoxyphenyl)methyl 2-oxopropanoate
• CAS: 112240-34-3
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.21
• InChiKey: QHGUNDCNSMHBMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• METHOD OF ASSAYING D-VANILLYLMANDELIC ACID, AND REAGENT AND KIT THEREFOR
  申请人：Yamasa Shoyu Kabushiki Kaisha (Yamasa Corporation)

  公开号：EP0450095B1

  公开（公告）日：1996-04-10
• METHOD FOR DIAGNOSING IN VITRO OR EX VIVO PSYCHIATRIC DISORDERS AND/OR INTESTINAL DYSBIOSES
  申请人：Chery Celine

  公开号：US20100028901A1

  公开（公告）日：2010-02-04

  The invention relates to the use of at least one of the following Formula (I) compounds: wherein n=1, Ra notably represents —COOH, Rb notably represents —CH 3 —, Z notably represents —CH 2 —CHOH—, wherein the compound may be in the form of salts or, if at least one asymmetric carbon atom is present, in the form of isolated isomers or as a racemic mixture, as a physiological marker for carrying out a method for the in vitro or ex vivo diagnosis of psychiatric disorders and/or intestinal dysbioses.