| 英文别名 | 7702-71-8;Thymol O-β-D-Glucuronide |
| CAS号 | 7702-71-8 |
| SMILES | Cc1ccc(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C |
| Inchi | InChI=1S/C16H22O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4-7,11-14,16-19H,1-3H3,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1 |
| InchiKey | ADQJSAVCKZSGMK-JHZZJYKESA-N |
| 分子式 Formula | C16H22O7 |
| 分子量 Molecular Weight | 326.342 |
| 闪点 FP | 207.0±23.6 ℃ |
| 熔点 Melting point | >86℃ (dec.) |
| 沸点 Boiling point | 564.2±50.0 ℃ at 760 mmHg |
| Polarizability极化度 | 32.1±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.6 mmHg at 25℃ |
| 溶解度Solubility | DMSO (Slightly), Methanol (Slightly) |
| 储藏条件 Storage conditions | Hygroscopic, -20℃ Freezer, Under inert atmosphere |
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