HCID21187940

3-Benzoyloxy-4-methoxybenzoic acid

C15H12O5272.25 g/molCAS 112777-57-8

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C(=O)O)cc1OC(=O)c1ccccc1
InChIKey: YELAJXSLRPYVES-UHFFFAOYSA-N
分子式: C15H12O5
平均分子量: 272.25 g/mol
单同位素质量: 272.06847348

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 72.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 348

ALIASES

名称与别名

共 7 条

3-benzoyloxy-4-methoxybenzoic acid112777-57-8SCHEMBL7343217DTXSID90611225YELAJXSLRPYVES-UHFFFAOYSA-N3-benzoyloxy-4-methoxy-benzoic acid3-(Benzoyloxy)-4-methoxybenzoic acid

REACTIONS

参与反应

14 条

uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05840724

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05840724

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2001_07 · 10.6084/m9.figshare.5104873.v1 · US06255326B1

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uspto-grants-2001_07 · 10.6084/m9.figshare.5104873.v1 · US06255326B1

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uspto-grants-1997_10 · 10.6084/m9.figshare.5104873.v1 · US05679696

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uspto-grants-1997_10 · 10.6084/m9.figshare.5104873.v1 · US05679696

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