Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CC=CC(C)=O
- InChIKey
- LABTWGUMFABVFG-UHFFFAOYSA-N
- 分子式
- C5H8O
- 平均分子量
- 84.118 g/mol
- 单同位素质量
- 84.05751488
扩展信息尚未完成同步。
REACTIONS
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