| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B153094-25ml |
25ml |
现货  |
|
| 英文别名 | Itaconic Acid Bis(2-ethylhexyl) Ester | Bis(2-ethylhexyl) Itaconate | Bis(2-ethylhexyl)itaconate | SCHEMBL227554 | bis(2-ethylhexyl) 2-methylidenebutanedioate | Bis(2-ethylhexyl) 2-methylenesuccinate | NSC93006 | NSC-93006 | Bis(2-ethylhexyl) methylenesuc |
|---|---|
| 规格或纯度 | ≥94%(GC) |
| 英文名称 | Bis(2-ethylhexyl) Itaconate (stabilized with HQ) |
| 运输条件 | 常规运输 |
| 纯度 | ≥94%(GC) |
| IIUPAC Name | bis(2-ethylhexyl) 2-methylidenebutanedioate |
|---|---|
| INCHI | 1S/C21H38O4/c1-6-10-12-18(8-3)15-24-20(22)14-17(5)21(23)25-16-19(9-4)13-11-7-2/h18-19H,5-16H2,1-4H3 |
| InChi Key | CGNRQCGWXXLTIA-UHFFFAOYSA-N |
| Smiles | CCCCC(CC)COC(=O)CC(=C)C(=O)OCC(CC)CCCC |
| Isomeric SMILES | CCCCC(CC)COC(=O)CC(=C)C(=O)OCC(CC)CCCC |
| 分子量 | 354.53 |
| Reaxy-Rn | 1885977 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1885977&ln= |
| 密度 | 0.938 |
|---|---|
| 折光率 | 1.45 |
| 闪点(℉) | 195.489°C |
| 闪点(℃) | 195.489°C |
| 沸点 | 421.145°C |
| 分子量 | 354.500 g/mol |
| XLogP3 | 6.800 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 17 |
| 精确质量Exact Mass | 354.277 Da |
| 单同位素质量Monoisotopic Mass | 354.277 Da |
| 拓扑极表面积Topological Polar Surface Area | 52.600 Ų |
| 重原子数Heavy Atom Count | 25 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 389.000 |
| 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 | 2 |
| 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 |
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