4433-56-1 (1,1-乙二醇,1,1-Ethanediol(6CI,7CI,8CI,9CI))

快速询单

结构式：

1,1-乙二醇MOL文件

CAS号：

4433-56-1

中文名称：

1,1-乙二醇

英文名称：

1,1-Ethanediol(6CI,7CI,8CI,9CI)

分子式：

C₂H₆O₂

分子量：

62.067841053009

1,1-乙二醇(4433-56-1)名称与标识符

名称

中文别名：

1,1-乙二醇;

英文别名：

1,1-Ethanediol(6CI,7CI,8CI,9CI);ethane-1,1-diol;1,1-ethanediol;ethanediol;1,1-Dihydroxyethane;Acetaldehyde, hydrate;Dihydroxyethane;Acetaldehyde hydrate;4433-56-1;DTXSID90196143;ethanol alcohol;AZHSSKPUVBVXLK-UHFFFAOYSA-N;

标识符

InChIKey：

AZHSSKPUVBVXLK-UHFFFAOYSA-N

Inchi：

1S/C2H6O2/c1-2(3)4/h2-4H,1H3

SMILES：

OC(C)O

1,1-乙二醇(4433-56-1)物化性质

实验特性

PSA : 40.46
折射率 : 1.417
沸点 : 146.0±8.0 ºC (760 Torr),
闪点 : 63.0±13.0 ºC,
溶解度 : 易溶 (361 g/L) (25 ºC),
密度 : 1.090±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 62.03678
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 62.037
重原子数量 : 4
复杂度 : 11.5
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） : -0.6
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 40.5Å²

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