uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461163B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)[C@@H]1C[C@H]1c1ccncc1
- InChIKey
- UGYNFXSWOUTZCL-VHSXEESVSA-N
- 分子式
- C11H13NO2
- 平均分子量
- 191.23 g/mol
- 单同位素质量
- 191.09462866
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 39.2 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 211
ALIASES
名称与别名
24679-43-4TRANS-ETHYL 2-(PYRIDIN-4-YL)CYCLOPROPANECARBOXYLATESCHEMBL3597647UGYNFXSWOUTZCL-VHSXEESVSA-NEN300-399862ethyl trans-2-pyridin-4-ylcyclopropanecarboxylateethyl (1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylaterac-ethyl (1R,2R)-2-(pyridin-4-yl)cyclopropane-1-carboxylaterac-ethyl (1R,2R)-2-(pyridin-4-yl)cyclopropane-1-carboxylate, trans
REACTIONS