25168-06-3 (異丙苯酚,Phenol,(1-methylethyl)-)

快速询单

结构式：

異丙苯酚MOL文件

CAS号：

25168-06-3

中文名称：

異丙苯酚

英文名称：

Phenol,(1-methylethyl)-

分子式：

C₉H₁₂O

分子量：

136.19098

異丙苯酚(25168-06-3)名称与标识符

名称

中文别名：

異丙苯酚;

英文别名：

Phenol,(1-methylethyl)-;4-Isopropylphenol;ISOPROPYLPHENOL ISOMER MIXTURE;

标识符

InChIKey：

CRBJBYGJVIBWIY-UHFFFAOYSA-N

Inchi：

InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3

SMILES：

CC(C1C=CC=CC=1O)C

異丙苯酚(25168-06-3)物化性质

实验特性

PSA : 20.23
折射率 : 1.525
沸点 : 208.6°C at 760 mmHg
闪点 : 95.3°C
密度 : 0.987

计算特性

精确分子量 : 136.08886
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 136.088815
重原子数量 : 10
复杂度 : 98.9
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） : 2.9
拓扑分子极性表面积 : 20.2

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