HCID59560341

5-Hydroxy-2-methyl-benzofuran-7-carboxylic acid methyl ester

methyl 5-hydroxy-2-methyl-1-benzofuran-7-carboxylate

C11H10O4206.19 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(O)cc2cc(C)oc12
InChIKey: IUAKEPOWYQNYNQ-UHFFFAOYSA-N
分子式: C11H10O4
平均分子量: 206.19 g/mol
单同位素质量: 206.0579088

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 59.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 253

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

SCHEMBL643529IUAKEPOWYQNYNQ-UHFFFAOYSA-NDB-402790Methyl 5-hydroxy-2-methyl-7-benzofurancarboxylate5-Hydroxy-2-methyl-benzofuran-7-carboxylic acid methyl ester955885-01-5

REACTIONS

相关反应

6 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 (7/10) · 10.1039/C8SC04228D

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uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07842713B2

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uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07842713B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119624B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119624B2

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