HCID79813

4-Butoxybenzaldehyde

C11H14O2178.23 g/molCAS 5736-88-9

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IDENTITY

结构与身份

标准SMILES: CCCCOc1ccc(C=O)cc1
InChIKey: XHWMNHADTZZHGI-UHFFFAOYSA-N
分子式: C11H14O2
平均分子量: 178.23 g/mol
单同位素质量: 178.09937969

COMPUTED

结构计算性质

等待补全

XLogP: 2.7
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 5
重原子: 13
形式电荷: 0
复杂度: 137

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 43 条

4-Butoxybenzaldehydep-ButoxybenzaldehydeBenzaldehyde, 4-butoxy-Benzaldehyde, p-butoxy-8OP1TZF294p-(n-Butoxy)benzaldehydeEINECS 227-247-9NSC 508762NSC-508762UNII-8OP1TZF294AI3-05712DTXSID5063992pButoxybenzaldehydeBenzaldehyde, pbutoxyBenzaldehyde, 4butoxyRefChem:98231DTXCID9042205XHWMNHADTZZHGI-UHFFFAOYSA-N5736-88-94-n-Butoxybenzaldehyde

REACTIONS

参与反应

51 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530670B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841327B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841327B2

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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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uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04709030

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

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08486940B2

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