54075-10-4 (（2Z）-2-苯基-2-丁烯醛,(2Z)-2-Phenyl-2-butenal)

快速询单

结构式：

（2Z）-2-苯基-2-丁烯醛MOL文件

CAS号：

54075-10-4

中文名称：

（2Z）-2-苯基-2-丁烯醛

英文名称：

(2Z)-2-Phenyl-2-butenal

分子式：

C₁₀H₁₀O

分子量：

146.185802936554

（2Z）-2-苯基-2-丁烯醛(54075-10-4)名称与标识符

名称

英文别名：

54075-10-4;AKOS022634232;2-Phenyl-2-butenal, (2Z)-;2-phenylbut-2-enal;SCHEMBL19792666;DTXSID40202405;4411-89-6;(2Z)-2-Phenyl-2-butenal;.alpha.-Ethylidenbenzeneacetaldehyde;Benzeneacetaldehyde, alpha-ethylidene-, (Z)-;(Z)-2-phenylbut-2-enal;FEMA No. 3224, Z-;.alpha.-Ethylidene-phenylacetaldehyde;6551UBO49N;Benzeneacetaldehyde, alpha-ethylidene-, (alphaZ)-;Benzeneacetaldehyde, .alpha.-ethylidene-;2-Phenyl-2-buten-1-al;SCHEMBL262669;Q27263825;A826493;BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (Z)-;DYAOGZLLMZQVHY-XNWCZRBMSA-N;.alpha.-Ethylidenebenzeneacetaldehyde;BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (.ALPHA.Z)-;2-Phenyl-2-butenal #;2-Phenylacetaldehyde, .alpha.-ethylidene;UNII-6551UBO49N;

标识符

InChIKey：

DYAOGZLLMZQVHY-XNWCZRBMSA-N

Inchi：

1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2+

SMILES：

O=C/C(=C\C)/C1C=CC=CC=1

（2Z）-2-苯基-2-丁烯醛(54075-10-4)物化性质

计算特性

精确分子量 : 146.073164938g/mol
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 146.073164938g/mol
重原子数量 : 11
复杂度 : 152
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 : 1
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） : 2.2
拓扑分子极性表面积 : 17.1Å²

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