85870-31-1 ((Heptadienal)

快速询单

结构式：

HeptadienalMOL文件

CAS号：

85870-31-1

英文名称：

Heptadienal

分子式：

C₇H₁₀O

分子量：

110.153702259064

Heptadienal(85870-31-1)名称与标识符

名称

英文别名：

Heptadienal;DTXSID9064057;227-627-4;hept-2,4-dienal;AKOS028110098;NS00082251;5910-85-0;85870-31-1;hepta-2,4-dienal;

标识符

InChIKey：

SATICYYAWWYRAM-UHFFFAOYSA-N

Inchi：

1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3

SMILES：

O=CC=CC=CCC

Heptadienal(85870-31-1)物化性质

计算特性

精确分子量 : 110.073164938Da
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 3
同位素质量 : 110.073164938Da
重原子数量 : 8
复杂度 : 101
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 : 2
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.6
拓扑分子极性表面积 : 17.1Å²

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85870-31-1 ((Heptadienal)

Heptadienal(85870-31-1)名称与标识符

名称

标识符

Heptadienal(85870-31-1)物化性质

计算特性

Heptadienal(85870-31-1)相关文献

目录