HCID101209

2-Cyanobenzaldehyde

2-formylbenzonitrile

C8H5NO131.13 g/molCAS 7468-67-9

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccccc1C=O
InChIKey: QVTPWONEVZJCCS-UHFFFAOYSA-N
分子式: C8H5NO
平均分子量: 131.13 g/mol
单同位素质量: 131.03711378

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 40.9 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 167

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 42 条

2-CyanobenzaldehydeRefChem:470719628-601-97468-67-92-Formylbenzonitrileo-CyanobenzaldehydeBenzonitrile, 2-formyl-MFCD00017503cyanobenzaldehyde2-formylbenzenecarbonitrile2-cyano-benzaldehyde2-formyl-benzonitrileNSC 4001312-Formylbenzonitrile #2-Cyanobenzaldehyde, 98%SCHEMBL98562SCHEMBL98563ORTHO-CYANOBENZALDEHYDEAlogliptin Related Compound 81CHEMBL4469993

REACTIONS

参与反应

55 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849619B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849619B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858649B1

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699852B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699852B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846951B2

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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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