MDL | MFCD00003364 |
InChIKey | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
Inchi | 1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3 |
SMILES | O(C([H])([H])[H])C1C(=C([H])C(C([H])=O)=C([H])C=1OC([H])([H])[H])OC([H])([H])[H] |
BRN | 0395163 |
LogP | 1.52490 |
PSA | 44.76000 |
折射率 | 1.5550 (estimate) |
水溶性 | 微溶 |
沸点 | 165°C/10mmHg(lit.) |
熔点 | 75.0 to 78.0 deg-C |
闪点 | 163-165℃/10mm |
溶解度 | methanol: 0.1 g/mL, clear |
颜色与性状 | 白色至微黄色针状晶体 |
敏感性 | Air Sensitive |
密度 | 1.2166 (rough estimate) |
精确分子量 | 196.07400 |
氢键供体数量 | 0 |
氢键受体数量 | 4 |
可旋转化学键数量 | 4 |
同位素质量 | 196.073559 |
重原子数量 | 14 |
复杂度 | 169 |
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) | 0.9 |
互变异构体数量 | 无 |
表面电荷 | 0 |
拓扑分子极性表面积 | 44.8 |
EINECS | 16692 |
海关编码 | 29124900 |
海关数据 |
中国海关编码:2912499000概述:2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 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, 四聚甲醛报明外观 Summary:2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0% |
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PubChemId | 87576078 |
Reaxys RN | 395163 |
Beilstein | 8,391 |