| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T684212-25g |
25g |
现货  |
| |
| T684212-100g |
100g |
现货 |
|
| 规格或纯度 | ≥97% |
|---|---|
| 英文名称 | Thymolphthalein |
| 储存温度 | 充氩 |
| 运输条件 | 常规运输 |
| 纯度 | ≥97% |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| EC号 | 204-729-7 |
|---|---|
| 分子类型 | 小分子 |
| IIUPAC Name | 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one |
| INCHI | 1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3 |
| InChi Key | LDKDGDIWEUUXSH-UHFFFAOYSA-N |
| Smiles | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O |
| Isomeric SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O |
| PubChem CID | 31316 |
| 分子量 | 430.54 |
| Beilstein号 | 359413 |
| Reaxy-Rn | 359413 |
| 敏感性 | 对湿度敏感 |
|---|---|
| 熔点 | 251-253°C |
| 分子量 | 430.500 g/mol |
| XLogP3 | 6.800 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 430.214 Da |
| 单同位素质量Monoisotopic Mass | 430.214 Da |
| 拓扑极表面积Topological Polar Surface Area | 66.800 Ų |
| 重原子数Heavy Atom Count | 32 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 636.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| WGK Germany | 3 |
|---|---|
| Merck Index | 9401 |
| 个人防护装备 | Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter |
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