HCID521252

2-Phenylacrylonitrile

2-phenylprop-2-enenitrile

C9H7N129.16 g/molCAS 495-10-3

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IDENTITY

结构与身份

标准SMILES: C=C(C#N)c1ccccc1
InChIKey: RLFXJQPKMZNLMP-UHFFFAOYSA-N
分子式: C9H7N
平均分子量: 129.16 g/mol
单同位素质量: 129.05784923

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 166

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1183.6；197.9

ALIASES

名称与别名

共 20 条

Atroponitrile2-Phenylacrylonitrile2-phenylprop-2-enenitrileBenzeneacetonitrile, .alpha.-methylene-1-cyano-1-phenylethylene.alpha.-Cyanostyrenealpha-PhenylacrylonitrileI+/--PhenylacrylonitrileAcrylonitrile, 2-phenyl-.alpha.-PhenylacrylonitrileSCHEMBL330617SCHEMBL3361633SCHEMBL4402417SCHEMBL6135811SCHEMBL14861381SCHEMBL23931474DTXSID501375506Benzeneacetonitrile, alpha-methylene-AKOS006329863Q23016429

REACTIONS

参与反应

3 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710024B2

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uspto-grants-1982_12 · 10.6084/m9.figshare.5104873.v1 · US04366170

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

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