MDL | MFCD00048100 |
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InChIKey | BJMLLSSSTGHJJE-UHFFFAOYSA-N |
Inchi | 1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
SMILES | O(C(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O)C(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O |
LogP | 3.30060 |
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PSA | 43.37000 |
折射率 | 1.5600 (estimate) |
沸点 | 411.6°C at 760 mmHg |
熔点 | 86-89℃ |
敏感性 | Moisture Sensitive |
密度 | 1.1565 (rough estimate) |
精确分子量 | 254.09400 |
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氢键供体数量 | 0 |
氢键受体数量 | 3 |
可旋转化学键数量 | 4 |
重原子数量 | 19 |
复杂度 | 289 |
拓扑分子极性表面积 | 43.4 |
海关编码 | 2916399090 |
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海关数据 |
中国海关编码:2916399090概述:2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% 申报要素:品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装 Summary:2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |