HCID11528845

Benzyl 4-formylbenzoate

C15H12O3240.25 g/molCAS 78767-55-2

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IDENTITY

结构与身份

标准SMILES: O=Cc1ccc(C(=O)OCc2ccccc2)cc1
InChIKey: JCYUVFOJNQNFQF-UHFFFAOYSA-N
分子式: C15H12O3
平均分子量: 240.25 g/mol
单同位素质量: 240.07864424

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 273

ALIASES

名称与别名

共 16 条

Benzyl 4-formylbenzoate78767-55-2Benzoic acid, 4-formyl-, phenylmethyl esterMFCD00447122SCHEMBL380997SCHEMBL7045434-formylbenzoic acid benzyl esterJCYUVFOJNQNFQF-UHFFFAOYSA-N4-Formyl-benzoic acid benzyl esterAKOS025121947DA-02768SY083624CS-0366636D78635F756656benzoic acid, 4-formyl-, phenylmethyl ester, AldrichCPR

REACTIONS

参与反应

19 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05725798

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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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 (6/10) · 10.1039/C8SC04228D

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08476253B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07592477B2

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

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