MDL | MFCD09263463 |
---|---|
InChIKey | LMCDKONPVQNISE-UHFFFAOYSA-N |
Inchi | 1S/C14H22O2/c1-10-6-12(16-13(15)8-10)7-11(2)9-14(3,4)5/h6,8,11H,7,9H2,1-5H3 |
SMILES | O1C(C([H])=C(C([H])([H])[H])C([H])=C1C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O |
LogP | 3.56300 |
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PSA | 30.21000 |
折射率 | 1.474 |
沸点 | 326.4°C at 760 mmHg |
闪点 | 134.8°C |
密度 | 0.951 |
精确分子量 | 222.16200 |
---|---|
氢键供体数量 | 0 |
氢键受体数量 | 2 |
可旋转化学键数量 | 4 |
重原子数量 | 16 |
复杂度 | 329 |
拓扑分子极性表面积 | 26.3 |
危险品运输编号 | NONH for all modes of transport |
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储存条件 | Sealed in dry,2-8°C |
海关编码 | 2932999099 |
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海关数据 |
中国海关编码:2932999099概述:2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素:品名, 成分含量, 用途 Summary:2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
SMILES
CC(C)(C)CC(C)CC1OC(=O)C=C(C)C=1