288-53-9 ((1,3-Dioxole)

快速询单

结构式：

1,3-DioxoleMOL文件

CAS号：

288-53-9

英文名称：

1,3-Dioxole

分子式：

C₃H₄O₂

分子量：

72.0626611709595

1,3-Dioxole(288-53-9)名称与标识符

名称

英文别名：

1,3-Dioxole;1,3-Dioxa-4-cyclopentene;1,3-Dioxacyclopentene;1,3-Dioxolene;DTXSID80452407;288-53-9;

标识符

InChIKey：

ABADUMLIAZCWJD-UHFFFAOYSA-N

Inchi：

1S/C3H4O2/c1-2-5-3-4-1/h1-2H,3H2

SMILES：

O1C=COC1

1,3-Dioxole(288-53-9)物化性质

实验特性

PSA : 18.46

计算特性

精确分子量 : 72.02112
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 : 72.021129366g/mol
重原子数量 : 5
复杂度 : 42.9
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） : 0.3
拓扑分子极性表面积 : 18.5Å²

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