HCID5130673

1H-pyrazole-4-carbaldehyde

C4H4N2O96.09 g/molCAS 35344-95-7

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IDENTITY

结构与身份

标准SMILES: O=Cc1cn[nH]c1
InChIKey: LRGBDJBDJXZTTD-UHFFFAOYSA-N
分子式: C4H4N2O
平均分子量: 96.09 g/mol
单同位素质量: 96.03236276

COMPUTED

结构计算性质

等待补全

XLogP: -0.9
极性表面积: 45.8 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 7
形式电荷: 0
复杂度: 74

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 38 条

1H-pyrazole-4-carbaldehyde35344-95-7DTXSID50408613RefChem:239963DTXCID60359465636-879-81H-Pyrazole-4-carboxaldehyde4-FORMYLPYRAZOLEMFCD021795144-pyrazolecarboxaldehydepyrazole-4-carboxaldehydepyrazole-4-carbaldehyde4-Pyrazolecarboxaldehyde; 1H-Pyrazole-4-carboxaldehyde1-H-pyrazole-4-carbaldehydeSCHEMBL1244801-H-pyrazole-4-carboxaldehydeSCHEMBL2010866SCHEMBL21407269SCHEMBL27674918LRGBDJBDJXZTTD-UHFFFAOYSA-N

REACTIONS

相关反应

35 条

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 (9/10) · 10.1039/C8SC04228D

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