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
- CC1CC1C(=O)OCc1ccccc1
- InChIKey
- UEGDTXGDZZESGT-UHFFFAOYSA-N
- 分子式
- C12H14O2
- 平均分子量
- 190.24 g/mol
- 单同位素质量
- 190.09937969
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 206
物化、安全与法规信息正在同步。
ALIASES
名称与别名
(1R,2R)-benzyl 2-methylcyclopropanecarboxylateSCHEMBL1838935
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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