4277-32-1 ((1,2-Cyclooctanediol)

快速询单

结构式：

1,2-CyclooctanediolMOL文件

CAS号：

4277-32-1

英文名称：

1,2-Cyclooctanediol

分子式：

C₈H₁₆O₂

分子量：

144.211442947388

1,2-Cyclooctanediol(4277-32-1)名称与标识符

名称

英文别名：

1,2-Cyclooctanediol;(1R,2R)-Cyclooctane-1,2-diol;EINECS 255-885-8;4277-32-1;trans-Cyclooctane-1,2-diol;DTXSID90962562;AKOS006228855;42565-22-0;cyclooctane-1,2-diol;SCHEMBL371487;

标识符

InChIKey：

HUSOFJYAGDTKSK-UHFFFAOYSA-N

Inchi：

1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2

SMILES：

OC1CCCCCCC1O

1,2-Cyclooctanediol(4277-32-1)物化性质

实验特性

PSA : 40.46

计算特性

精确分子量 : 144.11508
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 144.115029749 g/mol
重原子数量 : 10
复杂度 : 81.3
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 : 2
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） : 1.3
拓扑分子极性表面积 : 40.5Å²
分子量 : 144.21

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