1H-Indole-2-carboxylicacid, 2,3-dihydro-, ethyl ester, hydrochloride (1:1), (2S)-
- 中文别名：二氢吲哚-2-羧酸乙酯
- 中文释义：二氢吲哚-2-羧酸乙酯;Ethyl indoline-2-carboxylate Ethyl 2,3-dihydroindole-2-carboxylate
- 英文别名：Ethyl (2S)-2-indolinecarboxylate hydrochloride (1:1);
ethyl 2-pyrrolidylideneacetate;
2-Pyrrolidyliden-essigsaeure-ethylester;
ethyl indoline-2(S)-carboxylate hydrochloride;
ethyl pyrrolidin-2-ylideneacetate;
Acetic acid,2-pyrrolidinylidene-,ethyl ester;
(Z)-ethyl 2-(pyrrolidin-2-ylidene)acetate;
(2S)-2-ethoxycarbonylindoline hydrochloride;
ethyl 2-pyrrolidin-2-ylidene acetate;
ethyl 2S-indoline-2-carboxylate hydrochloride;
pyrrolidin-2-ylidene-acetic acid ethyl ester;
(S)-indoline-2-carboxylic acid ethyl ester hydrochloride;
ethyl pyrrolidinylidene acetate;
ethyl (S)-indoline-2-carboxylate hydrochloride;
(S)-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester monohydrochloride;
(S) 2-carbethoxy indoline hydrochloride
- CAS No.：79854-42-5
- 分子式：
C11H13NO2.ClH
- 分子量：191.23
- 精确分子量：227.07100
- PSA：38.33000
- InChI：The Key: VTNFLVJEOPKVIC-PPHPATTJSA-N
- 分子结构式：
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:2.3
2.氢键供体数量:1
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38.3
7.重原子数量:14
8.表面电荷:0
9.复杂度:217
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:1
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
