7161-35-5 (1,4-环庚二烯,1,4-cycloheptadiene)

快速询单

结构式：

1,4-环庚二烯MOL文件

CAS号：

7161-35-5

中文名称：

1,4-环庚二烯

英文名称：

1,4-cycloheptadiene

分子式：

C₇H₁₀

分子量：

94.1543021202087

1,4-环庚二烯(7161-35-5)名称与标识符

名称

英文别名：

1,4-cycloheptadiene;cyclohepta-1,4-diene;HQGYGGZHZWXFSI-UHFFFAOYSA-N;EFF73R8YGV;DTXSID00221859;7161-35-5;AKOS024436715;Q1800352;UNII-EFF73R8YGV;

标识符

InChIKey：

HQGYGGZHZWXFSI-UHFFFAOYSA-N

Inchi：

1S/C7H10/c1-2-4-6-7-5-3-1/h1-2,5,7H,3-4,6H2

SMILES：

C1C=CCC=CC1

1,4-环庚二烯(7161-35-5)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 94.0783
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 94.078250319g/mol
重原子数量 : 7
复杂度 : 76.2
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 : 0Å²

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