Cas no 672293-17-3 (Methyl 6-ethoxy-1H-indole-5-carboxylate)
672293-17-3 structure
Product Name:Methyl 6-ethoxy-1H-indole-5-carboxylate
CAS No:672293-17-3
MF:C12H13NO3
MW:219.236523389816
CID:1017523
Update Time:2023-08-02
Methyl 6-ethoxy-1H-indole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-5-carboxylicacid,6-ethoxy-,methylester(9CI)
- methyl 6-ethoxy-1H-indole-5-carboxylate
- Methyl 6-ethoxy-1H-indole-5-carboxylate
-
- Inchi： 1S/C12H13NO3/c1-3-16-11-7-10-8(4-5-13-10)6-9(11)12(14)15-2/h4-7,13H,3H2,1-2H3
- InChI Key： WJUDGJWPJJYRQV-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC2=C(C=CN2)C=C1C(=O)OC
Computed Properties
- Exact Mass: 219.09
- Monoisotopic Mass: 219.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 257
- 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
- Topological Polar Surface Area: 51.3
Methyl 6-ethoxy-1H-indole-5-carboxylate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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