| InChIKey | LWESBHWAOZORCQ-UHFFFAOYSA-N |
| Inchi | 1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 |
| SMILES | O1C2C([H])=C(C([H])=C([H])C=2C2C(=O)OC3C([H])=C(C(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])=C(C=3C1=2)OC([H])([H])[H])O[H])O[H] |
| PSA | 89.13 |
| 折射率 | 1.667 |
| 沸点 | 493.1°Cat760mmHg |
| 熔点 | 263.5-265 ºC |
| 闪点 | 252°C |
| 溶解度 | Insuluble (5.1E-3 g/L) (25 ºC), |
| 颜色与性状 | Yellow powder |
| 密度 | 1.371±0.06 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 366.11034 |
| 氢键供体数量 | 2 |
| 氢键受体数量 | 6 |
| 可旋转化学键数量 | 3 |
| 同位素质量 | 366.110338 |
| 重原子数量 | 27 |
| 复杂度 | 600 |
| 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 | 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） | 4.7 |
| 拓扑分子极性表面积 | 89.1 |
| 分子量 | 366.4 |
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