1-苯并呋喃-5-甲酸结构式
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常用名 | 1-苯并呋喃-5-甲酸 | 英文名 | 1-Benzofuran-5-carboxylic Acid |
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| CAS号 | 90721-27-0 | 分子量 | 162.14200 | |
| 密度 | 1.363g/cm3 | 沸点 | 325.6ºC at 760mmHg | |
| 分子式 | C9H6O3 | 熔点 | 189-190ºC | |
| MSDS | N/A | 闪点 | 150.7ºC |
| 中文名 | 1-苯并呋喃-5-甲酸 |
|---|---|
| 英文名 | 1-Benzofuran-5-carboxylic Acid |
| 中文别名 | 1-苯并呋喃-5-羧酸 | 苯并呋喃-5-羧酸 |
| 英文别名 | 更多 |
| 密度 | 1.363g/cm3 |
|---|---|
| 沸点 | 325.6ºC at 760mmHg |
| 熔点 | 189-190ºC |
| 分子式 | C9H6O3 |
| 分子量 | 162.14200 |
| 闪点 | 150.7ºC |
| 精确质量 | 162.03200 |
| PSA | 50.44000 |
| LogP | 2.13100 |
| InChIKey | GTWXSZIQNTUNKR-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc2occc2c1 |
| 折射率 | 1.649 |
| 储存条件 | 室温,干燥 |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 26-37/39 |
| 海关编码 | 2932999099 |
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1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:PHARMACIA and UPJOHN COMPANY Patent: WO2004/39815 A2, 2004 ; Location in patent: Page 70 ; WO 2004/039815 A2 |
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1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:Walker, Daniel Patrick; Piotrowski, David W.; Jacobsen, Eric Jon; Acker, Brad A.; Groppi JR., Vincent E. Patent: US2003/232853 A1, 2003 ; Location in patent: Page 39 ; |
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~98%
1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:Wishka, Donn G.; Walker, Daniel Patrick; Corbett, Jeffrey W.; Reitz, Steven Charles; Rauckhorst, Mark R.; Groppi JR., Vincent E. Patent: US2003/105089 A1, 2003 ; US 20030105089 A1 |
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1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:Journal of Medicinal Chemistry, , vol. 49, # 14 p. 4425 - 4436 |
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1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:Journal of Medicinal Chemistry, , vol. 49, # 14 p. 4425 - 4436 |
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~%
1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:Journal of Medicinal Chemistry, , vol. 49, # 14 p. 4425 - 4436 |
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~%
1-苯并呋喃-5-甲酸 90721-27-0 |
| 文献:Journal of Medicinal Chemistry, , vol. 38, # 16 p. 3094 - 3105 |
| 海关编码 | 2932999099 |
|---|---|
| 中文概述 | 2932999099. 其他仅含氧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 |
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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实验名称:Experimentally measured binding affinity data (IC50) for protein-ligand complexes der...
来源:Shanghai Institute of Organic Chemistry
靶标:N/A
External Id:PDBbind-IC50 for protein-ligand complexes
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| 1-benzofuran-5-carboxylic acid |