HCID11040979

1-methyl-1H-indole-7-carbaldehyde

1-methylindole-7-carbaldehyde

C10H9NO159.18 g/molCAS 69047-36-5

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IDENTITY

结构与身份

标准SMILES: Cn1ccc2cccc(C=O)c21
InChIKey: JOBIAZYEJOMXEP-UHFFFAOYSA-N
分子式: C10H9NO
平均分子量: 159.18 g/mol
单同位素质量: 159.06841391

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 22 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 181

ALIASES

名称与别名

共 24 条

1-methyl-1H-indole-7-carbaldehyde69047-36-51-methylindole-7-carbaldehyde1H-Indole-7-carboxaldehyde, 1-methyl- (9CI)MFCD111093291-methyl-1H-indole-7-carboxaldehyde1H-Indole-7-carboxaldehyde, 1-methyl-1-methyl-7-formylindoleSCHEMBL690926N-methylindole-7-carboxaldehydeSCHEMBL6212582SCHEMBL29935861JOBIAZYEJOMXEP-UHFFFAOYSA-DTXSID20452921JOBIAZYEJOMXEP-UHFFFAOYSA-NSBB087358AKOS006305839DS-18827SY322810DB-074098

REACTIONS

参与反应

17 条

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

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193203B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193203B2

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Imidazopyridines dataset

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

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

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700595B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700595B2

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