HCID19094436

2-Phenoxypropanenitrile

C9H9NO147.17 g/molCAS 6437-44-1

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IDENTITY

结构与身份

标准SMILES: CC(C#N)Oc1ccccc1
InChIKey: MBVIMYRMRHPFKN-UHFFFAOYSA-N
分子式: C9H9NO
平均分子量: 147.17 g/mol
单同位素质量: 147.06841391

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
极性表面积: 33 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 152

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 17 条

2-phenoxypropanenitrile6437-44-1RefChem:477959826-880-3phenoxypropionitrile2-phenoxypropionitrile2-phenoxy-propionitrileSCHEMBL4306370SCHEMBL7770581SCHEMBL10486820SCHEMBL10566573MBVIMYRMRHPFKN-UHFFFAOYSA-NGAA43744AKOS008951998CS-0261022EN300-76696Z54191740

REACTIONS

相关反应

5 条

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

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1976_10 · 10.6084/m9.figshare.5104873.v1 · US03987158

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uspto-grants-1976_10 · 10.6084/m9.figshare.5104873.v1 · US03987158

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