HCID998

Phenylacetaldehyde

2-phenylacetaldehyde

C8H8O120.15 g/molCAS 122-78-1

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IDENTITY

结构与身份

标准SMILES: O=CCc1ccccc1
InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N
分子式: C8H8O
平均分子量: 120.15 g/mol
单同位素质量: 120.05751487

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 9
形式电荷: 0
复杂度: 82

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 109 条

phenylacetaldehyde2-phenylacetaldehyde122-78-1Benzeneacetaldehyde2-Phenylethanalalpha-TolualdehydePhenylethanalPhenylacetic aldehydealpha-Toluic aldehydeOxophenylethaneAcetaldehyde, phenyl-Benzylcarboxaldehyde1-Oxo-2-phenylethanePhenacetaldehydealpha-PhenylacetaldehydeFEMA No. 2974DTXSID3021483U8J5PLW9MRNSC-406309DTXCID501483

REACTIONS

相关反应

262 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05248677

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091211B2

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04224254

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419975B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530476B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829035B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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