89765-49-1 ((Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-)

快速询单

结构式：

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-MOL文件

CAS号：

89765-49-1

英文名称：

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-

分子式：

C₅H₆N₂O₃

分子量：

142.1127409935

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-(89765-49-1)名称与标识符

名称

英文别名：

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-;ethyl (2E)-cyano(hydroxyimino)acetate;NSC-41021;Ethyl Cyanoglyoxalate Oxime;ethyl(E)-cyano(hydroxyimino)acetate;56503-39-0;ethyl (2Z)-2-cyano-2-hydroxyiminoacetate;ethyl (2E)-2-cyano-2-hydroxyiminoacetate;(E)-(ethyl cyano(hydroxyimino)formate);NSC-42116;E0847;NSC42116;(Z)-ethyl 2-cyano-2-(hydroxyimino)acetate;Ethyl (hydroxyimino)cyanoacetate;C93473;NSC41021;(Z)-ethyl2-cyano-2-(hydroxyimino)acetate;Ethyl 2-(hydroxyimino) cyanoacetate;AKOS004114632;SCHEMBL498411;CL4504;Ethyl cyano(hydroxyimino)acetate;ethyl (E)-2-cyano-2-(hydroxyimino)acetate;EINECS 260-226-2;3849-21-6;Ethyl 2-cyano-2-(hydroxyimino)acetate;BB 0259605;NS00087201;OxymaPure;Ethyl (2E)-cyano(hydroxyimino)ethanoate;89765-49-1;Ethyl cyanoglyoxylate-2-oxime;Cyano(hydroxyimino)acetic Acid Ethyl Ester;

标识符

MDL：

MFCD00002112

InChIKey：

LCFXLZAXGXOXAP-DAXSKMNVSA-N

Inchi：

1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3/b7-4-

SMILES：

O(C(/C(/C#N)=N\O)=O)CC

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-(89765-49-1)物化性质

计算特性

精确分子量 : 142.03784206g/mol
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 142.03784206g/mol
重原子数量 : 10
复杂度 : 200
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 : 1
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 : 82.7Å²

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89765-49-1 ((Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-)

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-(89765-49-1)名称与标识符

名称

标识符

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-(89765-49-1)物化性质

计算特性

Acetic acid, cyano(hydroxyimino)-, ethyl ester, (Z)-(89765-49-1)相关文献

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