HCID66669854

1-(Hydroxymethyl)cyclopropyl benzoate

[1-(hydroxymethyl)cyclopropyl] benzoate

C11H12O3192.21 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(OC1(CO)CC1)c1ccccc1
InChIKey: PAEVZTMHVRVJDT-UHFFFAOYSA-N
分子式: C11H12O3
平均分子量: 192.21 g/mol
单同位素质量: 192.07864424

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 14
形式电荷: 0
复杂度: 215

ALIASES

名称与别名

共 7 条

1-(hydroxymethyl)cyclopropyl benzoate1245931-97-8SCHEMBL374008PAEVZTMHVRVJDT-UHFFFAOYSA-N1-(Benzoyloxy)cyclopropanemethanol1-(hydroxymethyl)cyclopropylbenzoateDB-389812

REACTIONS

参与反应

4 条

uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08232294B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08232294B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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

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