HCID7176224

8-Methoxyquinoline-5-carbaldehyde

C11H9NO2187.19 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C=O)c2cccnc12
InChIKey: ACOHRGDSJSALMU-UHFFFAOYSA-N
分子式: C11H9NO2
平均分子量: 187.19 g/mol
单同位素质量: 187.06332853

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 39.2 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 207

ALIASES

名称与别名

共 9 条

8-methoxyquinoline-5-carbaldehyde83010-72-4MFCD067403158-Methoxy-quinoline-5-carbaldehydeSCHEMBL3156151ACOHRGDSJSALMU-UHFFFAOYSA-N8-methoxyquinoline-5-carboxaldehydeAKOS003237598CS-0330976

REACTIONS

参与反应

5 条

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04761475

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04587342

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

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uspto-grants-2008_12 · 10.6084/m9.figshare.5104873.v1 · US07462600B2

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