290-67-5 ((1,4-Dioxin)

快速询单

结构式：

1,4-DioxinMOL文件

CAS号：

290-67-5

英文名称：

1,4-Dioxin

分子式：

C₄H₄O₂

分子量：

84.0733613967896

1,4-Dioxin(290-67-5)名称与标识符

名称

英文别名：

1,4-Dioxin;1,4-dioxine;1,4-dioxame;DTXSID10183191;NS00123000;CHEBI:134044;1,4-dioxacyclohexa-2,5-diene;ZD32358XMG;p-Dioxin;Q161534;290-67-5;UNII-ZD32358XMG;KVGZZAHHUNAVKZ-UHFFFAOYSA-N;

标识符

InChIKey：

KVGZZAHHUNAVKZ-UHFFFAOYSA-N

Inchi：

1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H

SMILES：

O1C=COC=C1

1,4-Dioxin(290-67-5)物化性质

实验特性

PSA : 18.46
折射率 : 1.4350
沸点 : 75.25°C
闪点 : 45.4°C
密度 : 1.1150

计算特性

精确分子量 : 84.02112
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 84.021
重原子数量 : 6
复杂度 : 63.5
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） : 0.2
拓扑分子极性表面积 : 18.5A^2

1,4-Dioxin(290-67-5)相关文献

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