MDL | MFCD09027313 |
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InChIKey | ZXDDITJXZPTHFE-BQYQJAHWSA-N |
Inchi | 1S/C11H19BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3/b8-7+ |
SMILES | O1B(/C(/[H])=C(\[H])/C(=O)OC([H])([H])C([H])([H])[H])OC(C([H])([H])[H])(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] |
LogP | 1.73710 |
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PSA | 44.76000 |
精确分子量 | 226.13800 |
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氢键供体数量 | 0 |
氢键受体数量 | 4 |
可旋转化学键数量 | 4 |
重原子数量 | 16 |
复杂度 | 280 |
拓扑分子极性表面积 | 44.8 |
海关编码 | 2934999090 |
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海关数据 |
中国海关编码:2934999090概述:2934999090. 其他杂环化合物. 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:2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
PubChemId | 23553751 |
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SMILES:CCOC(=O)/C=C/B1OC(C)(C)C(C)(C)O1
ExSMILES:226.13767
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC11H19BO4