Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(O)C=CC1CCCCC1
- InChIKey
- GYEYFOYXHNRMGO-UHFFFAOYSA-N
- 分子式
- C9H14O2
- 平均分子量
- 154.21 g/mol
- 单同位素质量
- 154.09937969
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 155
ALIASES
名称与别名
3-Cyclohexylacrylic acid3-cyclohexylprop-2-enoic acidNSC 147133cyclohexaneacrylic acid3-Cyclohexyl-acrylic acidSCHEMBL2217143-cyclohexyl-2-propenoic acid3-Cylcohexyl-2-propenoic acidSCHEMBL10698184GYEYFOYXHNRMGO-UHFFFAOYSA-N(E/Z)-3-cyclohexylpropenoic acidAKOS016910263AB88221
REACTIONS
参与反应
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查看uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227516B2
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