HCID561886

Benzenepentanal

5-phenylpentanal

C11H14O162.23 g/molCAS 36884-28-3

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IDENTITY

结构与身份

标准SMILES: O=CCCCCc1ccccc1
InChIKey: FINOPSACFXSAKB-UHFFFAOYSA-N
分子式: C11H14O
平均分子量: 162.23 g/mol
单同位素质量: 162.10446507

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 5
重原子: 12
形式电荷: 0
复杂度: 114

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 22 条

5-PhenylpentanalBenzenepentanal36884-28-35-PhenylpentylaldehydeValeraldehyde, 5-phenyl-DTXSID20340137RefChem:325055DTXCID40291218FINOPSACFXSAKB-UHFFFAOYSA-NMFCD115536225-phenyl pentanal5-phenyl-pentanal5-phenyl-1-pentanalstarbld00407725-Phenylpentanal, 97%SCHEMBL96647SCHEMBL96648SCHEMBL18171494SCHEMBL28111410SCHEMBL28178135

REACTIONS

参与反应

36 条

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-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05840732

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06306873B1

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06306873B1

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uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09353075B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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