66675-43-2 ((1,3-Dioxolan-2-one, 4-butyl-)

快速询单

结构式：

1,3-Dioxolan-2-one, 4-butyl-MOL文件

CAS号：

66675-43-2

英文名称：

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

分子式：

C₇H₁₂O₃

分子量：

144.168382644653

1,3-Dioxolan-2-one, 4-butyl-(66675-43-2)名称与标识符

名称

英文别名：

1,3-Dioxolan-2-one, 4-butyl-;4-butyl-1,3-dioxolan-2-one;DTXSID30560783;SCHEMBL2344886;66675-43-2;

标识符

InChIKey：

SDROQGXGPRQQON-UHFFFAOYSA-N

Inchi：

1S/C7H12O3/c1-2-3-4-6-5-9-7(8)10-6/h6H,2-5H2,1H3

SMILES：

O1C(=O)OCC1CCCC

1,3-Dioxolan-2-one, 4-butyl-(66675-43-2)物化性质

实验特性

PSA : 35.53

计算特性

精确分子量 : 144.07866
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 144.078644241g/mol
重原子数量 : 10
复杂度 : 122
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） : 1
拓扑分子极性表面积 : 35.5Å²

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