2384-92-1 (七-1,3-二烯,hepta-1,3-diene)

快速询单

结构式：

七-1,3-二烯MOL文件

CAS号：

2384-92-1

中文名称：

七-1,3-二烯

英文名称：

hepta-1,3-diene

分子式：

C₇H₁₂

分子量：

96.1701822280884

七-1,3-二烯(2384-92-1)名称与标识符

名称

英文别名：

1,3-Heptadiene, (3E)-;(3E)-hepta-1,3-diene;(E)-1,3-Heptadiene;1,3-heptadiene, trans;hepta-1,3-diene;2384-92-1;heptadiene;OGQVROWWFUXRST-UHFFFAOYSA-N;OGQVROWWFUXRST-FNORWQNLSA-N;EN300-1850633;AKOS006275690;1,trans-3-heptadiene;1,3-heptadiene;

标识符

InChIKey：

OGQVROWWFUXRST-FNORWQNLSA-N

Inchi：

1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5+

SMILES：

C(C)C/C=C/C=C

七-1,3-二烯(2384-92-1)物化性质

实验特性

PSA : 0
折射率 : 1.429
沸点 : 101.4°Cat760mmHg
闪点 : 0.3°C
密度 : 0.724

计算特性

精确分子量 : 96.09396
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 3
同位素质量 : 96.0939
重原子数量 : 7
复杂度 : 60.4
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 : 1
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） : 3.1
拓扑分子极性表面积 : 0

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