563-64-4 ((Ethanol, 1-methoxy-)

快速询单

结构式：

Ethanol, 1-methoxy-MOL文件

CAS号：

563-64-4

英文名称：

Ethanol, 1-methoxy-

分子式：

C₃H₈O₂

分子量：

76.0944213867188

Ethanol, 1-methoxy-(563-64-4)名称与标识符

名称

英文别名：

Ethanol, 1-methoxy-;563-64-4;1-Methoxyethan-1-ol;methoxyl ethanol;methoxy-ethanol;NS00121576;methoxylethanol;GEGLCBTXYBXOJA-UHFFFAOYSA-N;methyoxyethanol;1-methoxyethanol;methoxy ethanol;ethanediol methyl ether;

标识符

InChIKey：

GEGLCBTXYBXOJA-UHFFFAOYSA-N

Inchi：

1S/C3H8O2/c1-3(4)5-2/h3-4H,1-2H3

SMILES：

O(C)C(C)O

Ethanol, 1-methoxy-(563-64-4)物化性质

实验特性

PSA : 29.46

计算特性

精确分子量 : 76.05244
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 76.052429494g/mol
重原子数量 : 5
复杂度 : 20.9
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 : 1
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） : -0.1
拓扑分子极性表面积 : 29.5Å²

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