MDL | MFCD00006862 |
InChIKey | GZEYLLPOQRZUDF-UHFFFAOYSA-N |
Inchi | 1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3 |
SMILES | O1C(C([H])=C(C([H])([H])[H])C2C([H])=C([H])C(=C([H])C1=2)N(C([H])([H])[H])C([H])([H])[H])=O |
BRN | 0169992 |
LogP | 2.16740 |
PSA | 33.45000 |
折射率 | 1.5260 (estimate) |
沸点 | 341.55°C (rough estimate) |
熔点 | 141.0 to 145.0 deg-C |
闪点 | 153.2°C |
颜色与性状 | 无色结晶 |
溶解性 | 20℃时的溶解性 |
密度 | 1.1255 (rough estimate) |
精确分子量 | 203.09500 |
氢键供体数量 | 0 |
氢键受体数量 | 3 |
可旋转化学键数量 | 1 |
同位素质量 | 203.094629 |
重原子数量 | 15 |
复杂度 | 296 |
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) | 2.4 |
表面电荷 | 0 |
拓扑分子极性表面积 | 29.5 |
EINECS | 408145 |
海关编码 | 2932209090 |
海关数据 |
中国海关编码:2932209090概述:2932209090. 其他内酯. 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:2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Cellulose-based dispersants and flocculants
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Double network hydrogels for energy/environmental applications: challenges and opportunities
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Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles
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Elucidation of the local dynamics of domain-III of human serum albumin over the ps–μs time regime using a new fluorescent label
Bhaswati Sengupta,Arusha Acharyya,Pratik Sen Phys. Chem. Chem. Phys. 2016 18 28548
PubChemId | 87560130 |
Reaxys RN | 169992 |
Beilstein | 18(5)11,445 |