Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- COC(=O)CC(C)C
- InChIKey
- OQAGVSWESNCJJT-UHFFFAOYSA-N
- 分子式
- C6H12O2
- 平均分子量
- 116.16 g/mol
- 单同位素质量
- 116.08372962
扩展信息尚未完成同步。
REACTIONS
参与反应
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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uspto-grants-2000_05 · 10.6084/m9.figshare.5104873.v1 · US06057369
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uspto-grants-1991_12 · 10.6084/m9.figshare.5104873.v1 · US05071843
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uspto-grants-1989_11 · 10.6084/m9.figshare.5104873.v1 · US04880793
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uspto-grants-1985_09 · 10.6084/m9.figshare.5104873.v1 · US04539208
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uspto-grants-1992_09 · 10.6084/m9.figshare.5104873.v1 · US05147868
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uspto-grants-1986_10 · 10.6084/m9.figshare.5104873.v1 · US04616038
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