3198-23-0 (环己烷羧酸离子（1-）,Cyclohexanecarboxylicacid, ion(1-))

快速询单

结构式：

环己烷羧酸离子（1-）MOL文件

CAS号：

3198-23-0

中文名称：

环己烷羧酸离子（1-）

英文名称：

Cyclohexanecarboxylicacid, ion(1-)

分子式：

C₇H₁₁O₂

分子量：

127.161042451859

环己烷羧酸离子（1-）(3198-23-0)名称与标识符

名称

英文别名：

Cyclohexanecarboxylicacid, ion(1-);Cyclohexanecarboxylic acid ion;Cyclohexane-1-carboxylate;Cyclohexanecarboxylate;Q27103345;NZNMSOFKMUBTKW-UHFFFAOYSA-M;CHEBI:27804;DTXSID50953870;Cyclohexanecarboxylic acid, ion(1-);3198-23-0;CCRIS 7682;

标识符

InChIKey：

NZNMSOFKMUBTKW-UHFFFAOYSA-M

Inchi：

1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)/p-1

SMILES：

[O-]C(C1CCCCC1)=O

环己烷羧酸离子（1-）(3198-23-0)物化性质

实验特性

PSA : 40.13

计算特性

精确分子量 : 127.07593
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 127.075904589g/mol
重原子数量 : 9
复杂度 : 98
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） : 2.5
拓扑分子极性表面积 : 40.1Å²

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