compound introduction
给出的RN指母体化合物
CAS number:84-88-8 molecular formula:C9H7NO4S
给出的RN指母体化合物
| Chinese alias | 8-羟基喹啉-5-磺酸 | ||
| English alias | 5-Sulfo-8-hydroxyquinoline; 5-Sulfo-8-quinolinol; 5-Sulfooxine; 8-Hydroxy-5-quinolinesulfonic acid; 8-Hydroxy-5-sulfoquinoline; 8-Hydroxyquinoline-5-sulphonic acid; 8-Oxyquinoline-5-sulfonic acid; 8-Quinolinol-5-sulfonic acid; HQSA; NSC 105877; NSC 13139; | ||
| CAS number | 84-88-8 | molecular formula | C9H7NO4S |
| molecular weight | 225.22 | Exact mass | - |
| PSA | 95.9 | logp | 1 |
| CAS | 84-88-8 |
| UNII | E8Z193G3L2 |
| HMDB ID | HMDB0247444 |
| ChEMBL ID | CHEMBL2407598 |
| NSC Number | NSC Number: NSC13139 |
| 废弃 CAS | 74838-69-0 |
| AIDS 编号 | 020606 |
| PubChem CID | 6792 |
| Nikkaji Number | J3.884I |
| DSSTox Substance ID | DTXSID7041542 |
| 生态与环境部编号 | _25Q1B3ABA |
| European Community (EC) Number | 201-570-5 |
| PubChem Reference Collection SID | 505543896 |
| XLogP3 | 1 |
| 复杂性 | 323 |
| Exact Mass | 225.00957888 |
| 化学类别 | 喹啉类 |
| 形式电荷 | 0 |
| 物理描述 | 淡黄色无味固体;晶体;[Sigma-Aldrich MSDS] |
| 重原子计数 | 15 |
| Molecular Weight | 225.22 |
| Monoisotopic Mass | 225.00957888 |
| 可旋转键计数 | 1 |
| 氢键供体计数 | 2 |
| 氢键受体计数 | 5 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 95.9 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
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