uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07947684B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(O)c1ccc(-c2ccc(=O)[nH]c2)cc1
- InChIKey
- BOLYLVSGKCNXAK-UHFFFAOYSA-N
- 分子式
- C12H9NO3
- 平均分子量
- 215.2 g/mol
- 单同位素质量
- 215.05824315
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 66.4 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 362
ALIASES
名称与别名
5-(4-CARBOXYPHENYL)-2-HYDROXYPYRIDINESCHEMBL1867386BOLYLVSGKCNXAK-UHFFFAOYSA-NMFCD118764844-(6-oxo-1H-pyridin-3-yl)benzoic acidDA-230325-(4-Carboxyphenyl)-2-hydroxypyridine, 95%4-(6-Oxo-1,6-dihydropyridin-3-yl)benzoic acid4-(6-oxo-1,6-dihydro-pyridin-3-yl)-benzoic acid
REACTIONS
参与反应
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07947684B2
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查看Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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