3999-70-0 ((1-Butanol, potassiumsalt (1:1))

快速询单

结构式：

1-Butanol, potassiumsalt (1:1)MOL文件

CAS号：

3999-70-0

英文名称：

1-Butanol, potassiumsalt (1:1)

分子式：

C₄H₉KO

分子量：

112.211962461472

1-Butanol, potassiumsalt (1:1)(3999-70-0)名称与标识符

名称

英文别名：

1-Butanol, potassiumsalt (1:1);potassium,butan-1-ol;1-Butanol,potassium salt;Butyl alcohol,potassium salt;EINECS 223-646-7;Potassium butanolate;SCHEMBL37894;butoxy potassium;n-BuOK;NS00083659;potassiurn butoxide;3999-70-0;1-Butanol, potassium salt (1:1);BuOK;potassium butoxide;C4H9OK;DTXSID6027553;potassium butan-1-olate;1-Butanol, potassium salt;Potassium n-butoxide in n-butanol;CUQOHAYJWVTKDE-UHFFFAOYSA-N;potassium-butoxide;

标识符

InChIKey：

CUQOHAYJWVTKDE-UHFFFAOYSA-N

Inchi：

1S/C4H9O.K/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1

SMILES：

[K+].[O-]CCCC

1-Butanol, potassiumsalt (1:1)(3999-70-0)物化性质

实验特性

LogP : 1.21700
PSA : 23.06000
沸点 : 117.7°Cat760mmHg
闪点 : 35°C
颜色与性状 : 无色至淡黄色液体

计算特性

精确分子量 : 112.02900
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 : 112.029
重原子数量 : 6
复杂度 : 17
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 : 2
拓扑分子极性表面积 : 23.1A^2

1-Butanol, potassiumsalt (1:1)(3999-70-0)相关文献

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