CAS号：

52688-11-6

3D弹球模型：

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分子式：

C9H13NO2

分子量：

167.205

中文名称：

氰乙酸环己酯

英文名称：

cyclohexyl cyanoacetate

中文别名：

氰乙酸环己酯;
2-氰基乙酸环己酯;
氰基乙酸环己酯;
Cyanoacetic acid 1-methylheptyl ester;
2-Octyl cyanoacetate;
2-Octyl cyanoacetate (2-OCYA);
3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
3-phenoxybenzyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
3-(2,2-dichloroethenyl)-2,2-dimethyl-1-(3-phenoxybenzyl)cyclopropanecarboxylate;
Permethrin;
2-[[3-chloro-4-(2,6-dibromo-4-nitro-phenyl)azo-phenyl]-(2-hydroxyethyl)amino]ethanol;
Di-mu-chlorobis(p-cymene)chlororuthenium(II);
ethyl N-acetyl-N-butyl-β-alaninate;
FGL BASE;
Ouinc Base Salfanilil;
4-Amino-2,5-Dimethoxy-N-Phenyl-BenzeneSulfonamide;
2,5-Dimethoxyaniline-4-Sulfoanilide;
cyano(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate;
cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate;
Fenvalerate

英文别名：

cyclohexyl cyanoacetate;
AI3-07187;
Acetic acid, cyano-, cyclohexyl ester;
Cyclohexyl cyanoacetate;
Cyanoacetic acid 1-methylheptyl ester;
2-Octyl cyanoacetate;
2-Octyl cyanoacetate (2-OCYA);
3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
3-phenoxybenzyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
3-(2,2-dichloroethenyl)-2,2-dimethyl-1-(3-phenoxybenzyl)cyclopropanecarboxylate;
Permethrin;
2-[[3-chloro-4-(2,6-dibromo-4-nitro-phenyl)azo-phenyl]-(2-hydroxyethyl)amino]ethanol;
Di-mu-chlorobis(p-cymene)chlororuthenium(II);
ethyl N-acetyl-N-butyl-β-alaninate;
FGL BASE;
Ouinc Base Salfanilil;
4-Amino-2,5-Dimethoxy-N-Phenyl-BenzeneSulfonamide;
2,5-Dimethoxyaniline-4-Sulfoanilide;
cyano(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate;
cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate;
Fenvalerate

EINECS：

258-104-9

InChI：

InChI=1/C9H13NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h8H,1-6H2

密度：

1.06g/cm3

沸点：

285.4°C at 760 mmHg

闪点：

130.3°C

计算化学数据

1.疏水参数计算参考值（XlogP）:1.8

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积:50.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:198

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1