| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T195804-250mg |
250mg |
期货  |
| |
| T195804-1g |
1g |
期货 |
|
| 英文别名 | 914349-13-6 | 1-Boc-3-Hydroxymethyl-2-methylindole | tert-butyl 3-(hydroxymethyl)-2-methyl-1H-indole-1-carboxylate | tert-butyl 3-(hydroxymethyl)-2-methylindole-1-carboxylate | 3-HYDROXYMETHYL-2-METHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | MFCD05864723 | SCHEMBL |
|---|---|
| 规格或纯度 | 97% |
| 英文名称 | tert-Butyl 3-(hydroxymethyl)-2-methyl-1H-indole-1-carboxylate |
| 储存温度 | 室温 |
| 运输条件 | 常规运输 |
| IUPAC Name | tert-butyl 3-(hydroxymethyl)-2-methylindole-1-carboxylate |
|---|---|
| INCHI | InChI=1S/C15H19NO3/c1-10-12(9-17)11-7-5-6-8-13(11)16(10)14(18)19-15(2,3)4/h5-8,17H,9H2,1-4H3 |
| InChi Key | KAEXNZCDBTXDKC-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)CO |
| Isomeric SMILES | CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)CO |
| PubChem CID | 40428540 |
| 分子量 | 261.32 |
| 分子量 | 261.320 g/mol |
|---|---|
| XLogP3 | 2.800 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 261.136 Da |
| 单同位素质量Monoisotopic Mass | 261.136 Da |
| 拓扑极表面积Topological Polar Surface Area | 51.500 Ų |
| 重原子数Heavy Atom Count | 19 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 337.000 |
| 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 |
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