| InChIKey | CAULGCQHVOVVRN-UHFFFAOYSA-N |
| Inchi | 1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3 |
| SMILES | O=C1C([H])([H])C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])C(C([H])([H])[H])=C([H])C([H])([H])/C/1=C(/C([H])([H])[H])\C([H])([H])[H] |
| LogP | 4.35850 |
| PSA | 17.07000 |
| 沸点 | 330.3℃ at 760 mmHg |
| 熔点 | 54.0 to 58.0 deg-C |
| 颜色与性状 | Powder |
| 最大波长(λmax) | 309(MeOH)(lit.) |
| 精确分子量 | 218.16700 |
| 氢键供体数量 | 0 |
| 氢键受体数量 | 1 |
| 可旋转化学键数量 | 0 |
| 同位素质量 | 218.167065321 g/mol |
| 重原子数量 | 16 |
| 复杂度 | 363 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 0 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 2 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | 3.5 |
| 拓扑分子极性表面积 | 17.1 |
| 分子量 | 218.33 |
| MDL | MFCD00210050 |
| 海关编码 | 2914299000 |
| 海关数据 |
中国海关编码：2914299000概述：2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0% 申报要素：品名, 成分含量, 用途, 丙酮报明包装 Summary：2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Novel anti-cancer agents based on germacrone: design, synthesis, biological activity, docking studies and MD simulations
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10.
Essential oil from the raw and vinegar-processed Rhizoma Curcumae ameliorate CCl4-induced liver fibrosis: integrating network pharmacology and molecular mechanism evaluation
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| Reaxys RN | 2047453 |
| Beilstein | 2047453 |
物理化学性质
熔点 55-58 °C
产品用途
