| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M590473-1g |
1g |
期货  |
|
| 规格或纯度 | 95% |
|---|---|
| 英文名称 | Methyl 4-(benzyloxy)-3-hydroxybenzoate |
| 储存温度 | 2-8°C储存,充氩 |
| 运输条件 | 冰袋运输 |
| IUPAC Name | methyl 3-hydroxy-4-phenylmethoxybenzoate |
|---|---|
| INCHI | InChI=1S/C15H14O4/c1-18-15(17)12-7-8-14(13(16)9-12)19-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3 |
| InChi Key | OXEZVYTTZZQFCA-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)O |
| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)O |
| 分子量 | 258.269 |
| Reaxy-Rn | 2741568 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2741568&ln= |
| 分子量 | 258.269 g/mol |
|---|---|
| XLogP3 | 2.900 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 5 |
| 精确质量Exact Mass | 258.089 Da |
| 单同位素质量Monoisotopic Mass | 258.089 Da |
| 拓扑极表面积Topological Polar Surface Area | 55.800 Ų |
| 重原子数Heavy Atom Count | 19 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 286.000 |
| 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 |
| Reaxy-Rn | 2741568 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2741568&ln= |
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