InChIKey | BJBUTJQYZDYRMJ-UHFFFAOYSA-N |
Inchi | InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3 |
SMILES | OC1C2C(=O)C(OC)=C(C3C=CC(O)=CC=3)OC=2C=C(OC)C=1 |
PSA | 85.22 |
颜色与性状 | Yellow powder |
精确分子量 | 314.07902 |
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 | 314.07903816 g/mol |
重原子数量 | 23 |
复杂度 | 480 |
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) | 2.5 |
拓扑分子极性表面积 | 85.2Ų |
分子量 | 314.29 |
1.
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