5,5-dimethyl-4-oxo-hex-2c-enoic acid | 35504-81-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 5,5-dimethyl-4-oxo-hex-2c-enoic acid
• 英文别名: 5,5-Dimethyl-4-oxo-hex-2c-ensaeure；(Z)-5,5-dimethyl-4-oxohex-2-enoic acid
• CAS: 35504-81-5
• 化学式: C₈H₁₂O₃
• 分子量: 156.181
• InChiKey: KSSQYRKIMWTEME-PLNGDYQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium acetate 、 乙酸酐 作用下， 生成 5,5-dimethyl-4-oxo-hex-2c-enoic acid 、 (E)-5,5-dimethyl-4-oxohex-2-enoic acid
  参考文献：
  名称：

  Hellstroem; Gronowitz, 1959, vol. 25, p. 363,372

  摘要：

  DOI：

文献信息

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  申请人：CENTRE DE TECHNOLOGIE MINÉRALE ET DE PLASTURGIE INC.

  公开号：US10035754B2

  公开（公告）日：2018-07-31

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  公开号：US20170015705A1

  公开（公告）日：2017-01-19

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  申请人：viDA Therapeutics Inc.

  公开号：US20170015706A1

  公开（公告）日：2017-01-19

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  公开号：US20170015707A1

  公开（公告）日：2017-01-19

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