HCID90269

3-Methyl-2-thenoic acid

3-methylthiophene-2-carboxylic acid

C6H6O2S142.18 g/molCAS 23806-24-8

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IDENTITY

结构与身份

标准SMILES: Cc1ccsc1C(=O)O
InChIKey: IFLKEBSJTZGCJG-UHFFFAOYSA-N
分子式: C6H6O2S
平均分子量: 142.18 g/mol
单同位素质量: 142.0088506

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 65.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 124

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 55 条

23806-24-83-Methyl-2-thiophenecarboxylic acid3-Methyl-2-thenoic acid2-Thiophenecarboxylic acid, 3-methyl-EINECS 245-894-5DTXSID20178518RefChem:503725DTXCID80101009245-894-53-Methylthiophene-2-carboxylic acid3-methyl-2-thiophene carboxylic acidMFCD000054382-Carboxy-3-methylthiopheneAC303413-methyl-thiophene-2-carboxylic acid3-methyl-2-thiophenecarboxylic3-Methyl-2-thiophenecarboxylicacid60P3-methyl-2-thienoic acidBIDD:GT0066

REACTIONS

参与反应

86 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246948

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728030B2

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uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05428053

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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