82947-28-2 ((1,3-Dioxolan-2-one, 4-hexyl-)

快速询单

结构式：

1,3-Dioxolan-2-one, 4-hexyl-MOL文件

CAS号：

82947-28-2

英文名称：

1,3-Dioxolan-2-one, 4-hexyl-

分子式：

C₉H₁₆O₃

分子量：

172.221543312073

1,3-Dioxolan-2-one, 4-hexyl-(82947-28-2)名称与标识符

名称

英文别名：

1,3-Dioxolan-2-one, 4-hexyl-;4-hexyl-1,3-dioxolan-2-one;82947-28-2;hexylethylenecarbonate;DTXSID80454587;KVOZCZVWECMVDU-UHFFFAOYSA-N;SCHEMBL5598322;

标识符

InChIKey：

KVOZCZVWECMVDU-UHFFFAOYSA-N

Inchi：

1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3

SMILES：

O1C(=O)OCC1CCCCCC

1,3-Dioxolan-2-one, 4-hexyl-(82947-28-2)物化性质

计算特性

精确分子量 : 172.109944368g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 172.109944368g/mol
重原子数量 : 12
复杂度 : 145
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） : 3.2
拓扑分子极性表面积 : 35.5Å²

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82947-28-2 ((1,3-Dioxolan-2-one, 4-hexyl-)

1,3-Dioxolan-2-one, 4-hexyl-(82947-28-2)名称与标识符

名称

标识符

1,3-Dioxolan-2-one, 4-hexyl-(82947-28-2)物化性质

计算特性

1,3-Dioxolan-2-one, 4-hexyl-(82947-28-2)相关文献

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