117259-24-2

快速询单

结构式：

117259-24-2MOL文件

CAS号：

117259-24-2

分子式：

C₅H₉NO₂

分子量：

115.130461454391

117259-24-2(117259-24-2)名称与标识符

标识符

InChIKey：

FVTVMQPGKVHSEY-UHFFFAOYSA-N

Inchi：

1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)

SMILES：

OC(C1(CCC1)N)=O

117259-24-2(117259-24-2)物化性质

计算特性

精确分子量 : 115.063328530g/mol
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 115.063328530g/mol
重原子数量 : 8
复杂度 : 118
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） : -2.9
拓扑分子极性表面积 : 63.3Å²

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117259-24-2

117259-24-2(117259-24-2)名称与标识符

标识符

117259-24-2(117259-24-2)物化性质

计算特性

117259-24-2(117259-24-2)相关文献

目录