Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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结构与身份
- 标准SMILES
- O=C1CCc2c(OCC3CO3)cccc21
- InChIKey
- IBQHRAIYQCJZLR-UHFFFAOYSA-N
- 分子式
- C12H12O3
- 平均分子量
- 204.225 g/mol
- 单同位素质量
- 204.07864424
扩展信息尚未完成同步。
REACTIONS
IDENTITY
REACTIONS
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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查看uspto-grants-1984_03 · 10.6084/m9.figshare.5104873.v1 · US04435397
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