MDL | MFCD00156880 |
InChIKey | HONRSHHPFBMLBT-OWOJBTEDSA-N |
Inchi | 1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+ |
SMILES | ClC1C([H])=C([H])C(/C(/[H])=C(\[H])/C([H])=O)=C([H])C=1[H] |
LogP | 2.55210 |
PSA | 17.07000 |
沸点 | 290.4°C at 760 mmHg |
熔点 | 57-63 °C |
精确分子量 | 166.01900 |
氢键供体数量 | 0 |
氢键受体数量 | 1 |
可旋转化学键数量 | 2 |
重原子数量 | 11 |
复杂度 | 146 |
疏水参数计算参考值(XlogP) | 2.1 |
拓扑分子极性表面积 | 17.1 |
1.
Modular synthesis of (E)-cinnamaldehydes directly from allylarenes via a metal-free DDQ-mediated oxidative process
Ting-Ting Xu,Tao-Shan Jiang,Xiao-Lan Han,Yuan-Hong Xu,Jin-Ping Qiao Org. Biomol. Chem. 2018 16 5350
2.
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3.
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4.
Towards greener solvents for the bleach oxidation of alcohols catalysed by stable N-oxy radicals
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5.
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6.
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7.
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8.
Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding
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9.
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10.
Domino reaction involving the Bestmann–Ohira reagent and α,β-unsaturated aldehydes: efficient synthesis of functionalized pyrazoles
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PubChemId | 329764177 |