Cas no 52280-52-1 (3H-Benz[e]indole-2-carboxylic acid, ethyl ester)
![3H-Benz[e]indole-2-carboxylic acid, ethyl ester structure](https://ossimg.kuujia.com/scimg/52500/52280-52-1x500.png)
52280-52-1 structure
Product Name:3H-Benz[e]indole-2-carboxylic acid, ethyl ester
CAS No:52280-52-1
MF:C15H13NO2
MW:239.269223928452
CID:359991
PubChem ID:354965
Update Time:2025-04-19
3H-Benz[e]indole-2-carboxylic acid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3H-Benz[e]indole-2-carboxylic acid, ethyl ester
- ethyl 3H-benzo[e]indole-2-carboxylate
- MZNWVDAWTJDZLG-UHFFFAOYSA-N
- 52280-52-1
- DTXSID60326657
- NSC607746
- AKOS009162588
- SCHEMBL6518295
- NSC-607746
- ethyl benz[e]indole-2-carboxylate
-
- Inchi： 1S/C15H13NO2/c1-2-18-15(17)14-9-12-11-6-4-3-5-10(11)7-8-13(12)16-14/h3-9,16H,2H2,1H3
- InChI Key： MZNWVDAWTJDZLG-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC2C3C=CC=CC=3C=CC=2N1)=O
Computed Properties
- Exact Mass: 239.09469
- Monoisotopic Mass: 239.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09
3H-Benz[e]indole-2-carboxylic acid, ethyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
52280-52-1 (3H-Benz[e]indole-2-carboxylic acid, ethyl ester) Related Products
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- 916792-63-7(6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester)
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- 3770-50-1(Ethyl indole-2-carboxylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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