| InChIKey | CUFAXDWQDQQKFF-UHFFFAOYSA-N |
| Inchi | 1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3 |
| SMILES | O1C2C(=C(C([H])=C([H])C=2C(C([H])([H])C1([H])C1C([H])=C([H])C(=C(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])C=1[H])O[H])=O)O[H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H] |
| LogP | 5.82170 |
| PSA | 66.76000 |
| 熔点 | 121-123 ºC |
| 溶解度 | Insuluble (4.7E-4 g/L) (25 ºC), |
| 颜色与性状 | Powder |
| 密度 | 1.166±0.06 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 392.19900 |
| 氢键供体数量 | 2 |
| 氢键受体数量 | 4 |
| 可旋转化学键数量 | 5 |
| 同位素质量 | 392.19875937 g/mol |
| 重原子数量 | 29 |
| 复杂度 | 629 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 1 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 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） | 6 |
| 拓扑分子极性表面积 | 66.8 |
| 分子量 | 392.5 |
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