Cas no 885524-96-9 (1H-INDOLE-3-CARBOXYLIC ACID, 1-ETHYL-, ETHYL ESTER)
885524-96-9 structure
Product Name:1H-INDOLE-3-CARBOXYLIC ACID, 1-ETHYL-, ETHYL ESTER
CAS No:885524-96-9
MF:C13H15NO2
MW:217.263703584671
CID:1928105
PubChem ID:67274542
Update Time:2025-04-21
1H-INDOLE-3-CARBOXYLIC ACID, 1-ETHYL-, ETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1H-INDOLE-3-CARBOXYLIC ACID, 1-ETHYL-, ETHYL ESTER
- DTXSID401287906
- SCHEMBL2090257
- 885524-96-9
- ethyl 1-ethyl-1H-indole-3-carboxylate
- ethyl 1-ethylindole-3-carboxylate
- 1h-indole-3-carboxylic acid,1-ethyl-,ethyl ester
- DKTASPVYNKDYMO-UHFFFAOYSA-N
- 1-Ethyl-1H-indole-3-carboxylic acid ethyl ester
-
- MDL： MFCD11617126
- Inchi： 1S/C13H15NO2/c1-3-14-9-11(13(15)16-4-2)10-7-5-6-8-12(10)14/h5-9H,3-4H2,1-2H3
- InChI Key： DKTASPVYNKDYMO-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN(CC)C2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 217.110278721Da
- Monoisotopic Mass: 217.110278721Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 254
- 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: 2.5
- Topological Polar Surface Area: 31.2?2
1H-INDOLE-3-CARBOXYLIC ACID, 1-ETHYL-, ETHYL ESTER Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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