192082-40-9 ((Undecanoic acid, mercapto-)

快速询单

结构式：

Undecanoic acid, mercapto-MOL文件

CAS号：

192082-40-9

英文名称：

Undecanoic acid, mercapto-

分子式：

C₁₁H₂₂O₂S

分子量：

218.356182575226

Undecanoic acid, mercapto-(192082-40-9)名称与标识符

名称

英文别名：

Undecanoic acid, mercapto-;2-Sulfanylundecanoic acid;DTXSID00620282;2-Mercaptoundecanoic acid;192082-40-9;SCHEMBL179998;DYAOREPNYXXCOA-UHFFFAOYSA-N;mercaptoundecanoic acid;

标识符

InChIKey：

DYAOREPNYXXCOA-UHFFFAOYSA-N

Inchi：

1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-10(14)11(12)13/h10,14H,2-9H2,1H3,(H,12,13)

SMILES：

SC(C(=O)O)CCCCCCCCC

Undecanoic acid, mercapto-(192082-40-9)物化性质

实验特性

PSA : 37.3

计算特性

精确分子量 : 218.13416
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 9
同位素质量 : 218.13405111g/mol
重原子数量 : 14
复杂度 : 148
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 : 1
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） : 4.6
拓扑分子极性表面积 : 38.3Å²

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