Cas no 157496-76-9 (Methyl 1-(ethoxycarbonyl)-1H-indole-3-acetate)
157496-76-9 structure
Product Name:Methyl 1-(ethoxycarbonyl)-1H-indole-3-acetate
CAS No:157496-76-9
MF:C14H15NO4
MW:261.273204088211
CID:6626575
PubChem ID:118386719
Update Time:2024-01-15
Methyl 1-(ethoxycarbonyl)-1H-indole-3-acetate Chemical and Physical Properties
Names and Identifiers
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- 157496-76-9
- Methyl 1-(ethoxycarbonyl)-1H-indole-3-acetate
- SCHEMBL17102824
- DTXSID401250888
-
- Inchi： 1S/C14H15NO4/c1-3-19-14(17)15-9-10(8-13(16)18-2)11-6-4-5-7-12(11)15/h4-7,9H,3,8H2,1-2H3
- InChI Key： PNMBNZIUOHJLQO-UHFFFAOYSA-N
- SMILES： O(CC)C(N1C=C(CC(=O)OC)C2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 261.10010796g/mol
- Monoisotopic Mass: 261.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 344
- 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: 2.4
- Topological Polar Surface Area: 57.5?2
Methyl 1-(ethoxycarbonyl)-1H-indole-3-acetate 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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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