HCID3019696

2,3,3-Trimethyl-3H-indole-5-carboxylic acid

2,3,3-trimethylindole-5-carboxylic acid

C12H13NO2203.24 g/molCAS 84100-84-5

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IDENTITY

结构与身份

标准SMILES: CC1=Nc2ccc(C(=O)O)cc2C1(C)C
InChIKey: QUDAPQXQGBIUAR-UHFFFAOYSA-N
分子式: C12H13NO2
平均分子量: 203.24 g/mol
单同位素质量: 203.09462866

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 49.7 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 15
形式电荷: 0
复杂度: 320

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 32 条

2,3,3-Trimethyl-3H-indole-5-carboxylic acid84100-84-5EINECS 282-162-4DTXSID50232995RefChem:81191DTXCID80155486282-162-42,3,3-trimethylindole-5-carboxylic acid2,3,3-trimethyl-5-carboxyindolenineMFCD010997393H-Indole-5-carboxylicacid, 2,3,3-trimethyl-2,3,3-trimethyl-3H-indole-5-carboxylicacid3H-Indole-5-carboxylic acid, 2,3,3-trimethyl-5-Carboxy-2,3,3-trimethyl-3H-indole2,3,3-Trimethylindolenine-5-carboxylic acidVUN3VA4S9PSCHEMBL134976SCHEMBL29367860JDA10084STL301705

REACTIONS