HRID118739
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- COC(=O)CC(C)CC(=O)O
- InChIKey
- BYBMHSADRRMVHY-UHFFFAOYSA-N
- 分子式
- C7H12O4
- 平均分子量
- 160.169 g/mol
- 单同位素质量
- 160.07355886
扩展信息尚未完成同步。
REACTIONS
参与反应
HRID196080
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID940692
Validation data from https://doi.org/10.1039/C8SC04228D
作为反应物
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物