HCID24822808

(3-(Cyclohexyloxy)-4-(methoxycarbonyl)phenyl)boronic acid

(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid

C14H19BO5278.11 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(B(O)O)cc1OC1CCCCC1
InChIKey: CQSLITZIZPAUOK-UHFFFAOYSA-N
分子式: C14H19BO5
平均分子量: 278.11 g/mol
单同位素质量: 278.1325539

COMPUTED

结构计算性质

已同步

极性表面积: 76 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 317

ALIASES

名称与别名

共 7 条

855482-72-3(3-(Cyclohexyloxy)-4-(methoxycarbonyl)phenyl)boronic acid[3-(cyclohexyloxy)-4-(methoxycarbonyl)phenyl]boronic acidSCHEMBL1621085CQSLITZIZPAUOK-UHFFFAOYSA-NDB-090480[3-(cyclohexyloxy)-4-(methoxycarbonyl)phenyl]-boronic acid

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2011_04 · 10.6084/m9.figshare.5104873.v1 · US07928264B2

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uspto-grants-2008_08 · 10.6084/m9.figshare.5104873.v1 · US07417060B2

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