7-乙基-1H-吲哚-2,3-二酮结构式
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常用名 | 7-乙基-1H-吲哚-2,3-二酮 | 英文名 | 7-Ethyl-1H-indole-2,3-dione |
|---|---|---|---|---|
| CAS号 | 79183-65-6 | 分子量 | 175.18400 | |
| 密度 | 1.247g/cm3 | 沸点 | N/A | |
| 分子式 | C10H9NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 7-乙基-1H-吲哚-2,3-二酮 |
|---|---|
| 英文名 | 7-Ethylindoline-2,3-dione |
| 中文别名 | 7-乙基靛红 |
| 英文别名 | 更多 |
| 密度 | 1.247g/cm3 |
|---|---|
| 分子式 | C10H9NO2 |
| 分子量 | 175.18400 |
| 精确质量 | 175.06300 |
| PSA | 46.17000 |
| LogP | 1.52180 |
| InChIKey | YMZGAPGIOFRUFU-UHFFFAOYSA-N |
| SMILES | CCc1cccc2c1NC(=O)C2=O |
| 折射率 | 1.583 |
| 储存条件 | 室温,干燥 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.5 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:55 6.拓扑分子极性表面积:46.2 7.重原子数量:13 8.表面电荷:0 9.复杂度:249 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 海关编码 | 2933990090 |
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~83%
7-乙基-1H-吲哚-2,3-二酮 79183-65-6 |
| 文献:Yamamoto, Gaku; Koseki, Ai; Sugita, Jun; Mochida, Hisashi; Minoura, Mao Bulletin of the Chemical Society of Japan, 2006 , vol. 79, # 10 p. 1585 - 1600 |
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~%
7-乙基-1H-吲哚-2,3-二酮 79183-65-6 |
| 文献:Journal of Medicinal Chemistry, , vol. 50, # 1 p. 21 - 39 |
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~%
7-乙基-1H-吲哚-2,3-二酮 79183-65-6 |
| 文献:Journal of the Chemical Society, , p. 3095 |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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| 7-ethyl-1H-indole-2,3-dione |