39619-07-3 ((Propanedioyl dichloride, methyl-)

快速询单

结构式：

Propanedioyl dichloride, methyl-MOL文件

CAS号：

39619-07-3

英文名称：

Propanedioyl dichloride, methyl-

分子式：

C₄H₄Cl₂O₂

分子量：

154.97935962677

Propanedioyl dichloride, methyl-(39619-07-3)名称与标识符

名称

英文别名：

Propanedioyl dichloride, methyl-;2-methylpropanedioyl dichloride;methylmalonyl dichloride;methyl-malonyl chloride;DB-361006;methyl malonylchloride;SCHEMBL334917;39619-07-3;IEEHKTFVUIVORU-UHFFFAOYSA-N;Propanedioyl dichloride, 2-methyl-;methyl malonyl monochloride;SY339357;STR01490;2-Methylmalonyl dichloride;methylmalonylchloride;methylmalonyl chloride;DTXSID90448710;AKOS025294868;

标识符

InChIKey：

IEEHKTFVUIVORU-UHFFFAOYSA-N

Inchi：

1S/C4H4Cl2O2/c1-2(3(5)7)4(6)8/h2H,1H3

SMILES：

ClC(C(C(=O)Cl)C)=O

Propanedioyl dichloride, methyl-(39619-07-3)物化性质

实验特性

PSA : 34.14

计算特性

精确分子量 : 153.95892
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 153.9588348g/mol
重原子数量 : 8
复杂度 : 107
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
拓扑分子极性表面积 : 34.1Å²

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