72879-22-2 (癸烯二酸,(E)-dec-4-enedioic acid)

快速询单

结构式：

癸烯二酸MOL文件

CAS号：

72879-22-2

中文名称：

癸烯二酸

英文名称：

(E)-dec-4-enedioic acid

分子式：

C₁₀H₁₆O₄

分子量：

200.231643676758

癸烯二酸(72879-22-2)名称与标识符

名称

中文别名：

癸烯二酸;

英文别名：

(E)-dec-4-enedioic acid;DEC-4-ENEDIOIC ACID;72879-22-2;oct-3-ene-1,8-dicarboxylic acid;DTXSID40993664;NS00053507;

标识符

InChIKey：

CXGDCGIPEJKSCK-UHFFFAOYSA-N

Inchi：

1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)

SMILES：

OC(CCCCC=CCCC(=O)O)=O

癸烯二酸(72879-22-2)物化性质

计算特性

精确分子量 : 200.10485899g/mol
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 8
同位素质量 : 200.10485899g/mol
重原子数量 : 14
复杂度 : 208
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 : 1
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.4
拓扑分子极性表面积 : 74.6Å²

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72879-22-2 (癸烯二酸,(E)-dec-4-enedioic acid)

癸烯二酸(72879-22-2)名称与标识符

名称

标识符

癸烯二酸(72879-22-2)物化性质

计算特性

癸烯二酸(72879-22-2)相关文献

目录