1144-12-3 (Ethyl (2,5-dimethyl-1H-indol-3-yl)acetate,Ethyl (2,5-dimethyl-1h-indol-3-yl)acetate)

CAS号:
1144-12-3
中文名称:
Ethyl (2,5-dimethyl-1H-indol-3-yl)acetate
英文名称:
Ethyl (2,5-dimethyl-1h-indol-3-yl)acetate
分子式:
C14H17NO2
分子量:
231.290283918381

Ethyl (2,5-dimethyl-1H-indol-3-yl)acetate(1144-12-3)名称与标识符

名称

英文别名:
Ethyl (2,5-dimethyl-1H-indol-3-yl)acetate;(2,4-Dimethoxy-phenyl)-glyoxylsaeure-aethylester;ethyl (2,4-dimethoxyphenyl)glyoxalate;(2,4-dimethoxy-phenyl)-glyoxylic acid ethyl ester;AG-G-48149;ethyl (2,4-dimethoxybenzoyl) formate;CTK5C3266;(2,5-Dimethyl-indol-3-yl)-essigsaeure-aethylester;AGN-PC-0026S1;2,5-Dimethyl-indolyl-(3)-essigsaeureethylester;ETHYL 2,4-DIMETHOXYBENZOYLFORMATE;(2,5-dimethyl-indol-3-yl)-acetic acid ethyl ester;ethyl-2,4-dimethoxyphenylglyoxylate;2,5-Dimethyl-indol-3-ylessigsaeure-ethylester;2,5-dimethyl-1H-indole-3-acetic acid ethyl ester;ethyl (2,5-dimethylindol-3-yl)acetate;(2,4-dimethoxyphenyl)-glyoxalic acid ethyl ester;ETHYL 2-(2,5-DIMETHYL-1H-INDOL-3-YL)ACETATE;ethyl-2,4-dimethoxyphen;MWEGAQSTPQLWRO-UHFFFAOYSA-N;1144-12-3;SCHEMBL8291738;

标识符

InChIKey:
MWEGAQSTPQLWRO-UHFFFAOYSA-N
Inchi:
1S/C14H17NO2/c1-4-17-14(16)8-11-10(3)15-13-6-5-9(2)7-12(11)13/h5-7,15H,4,8H2,1-3H3
SMILES:
O(CC)C(CC1=C(C)NC2C=CC(C)=CC1=2)=O

Ethyl (2,5-dimethyl-1H-indol-3-yl)acetate(1144-12-3)物化性质

实验特性

  • PSA : 42.09

计算特性

  • 精确分子量 : 231.12601
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 231.125928785g/mol
  • 重原子数量 : 17
  • 复杂度 : 279
  • 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) : 3
  • 拓扑分子极性表面积 : 42.1Ų