Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C=Cc1ccc(N)c(O)c1
- InChIKey
- LQNHOLCQMJWKIM-UHFFFAOYSA-N
- 分子式
- C11H13NO3
- 平均分子量
- 207.23 g/mol
- 单同位素质量
- 207.08954328
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 72.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 240
ALIASES
名称与别名
SCHEMBL2261789LQNHOLCQMJWKIM-UHFFFAOYSA-N3-(4-Amino-3-hydroxyphenyl)-acrylic acid ethyl ester
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06017926
查看uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06017926
查看uspto-grants-2000_05 · 10.6084/m9.figshare.5104873.v1 · US06066648
查看uspto-grants-2000_05 · 10.6084/m9.figshare.5104873.v1 · US06066648
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2001_07 · 10.6084/m9.figshare.5104873.v1 · US06268378B1
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