Cas no 57119-39-8 (2-BENZOFURANACETIC ACID, ETHYL ESTER)
57119-39-8 structure
Product Name:2-BENZOFURANACETIC ACID, ETHYL ESTER
CAS No:57119-39-8
MF:C12H12O3
MW:204.221883773804
CID:3252044
PubChem ID:12085434
Update Time:2025-04-21
2-BENZOFURANACETIC ACID, ETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 2-BENZOFURANACETIC ACID, ETHYL ESTER
- 57119-39-8
- benzofuran-2-yl-acetic acid ethyl ester
- SCHEMBL5947962
- Ethyl 2-(benzofuran-2-yl)acetate
- ethyl 2-(1-benzofuran-2-yl)acetate
-
- Inchi： 1S/C12H12O3/c1-2-14-12(13)8-10-7-9-5-3-4-6-11(9)15-10/h3-7H,2,8H2,1H3
- InChI Key： DWPLPDXWGZPIMU-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C=C1CC(=O)OCC
Computed Properties
- Exact Mass: 204.078644241Da
- Monoisotopic Mass: 204.078644241Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 227
- 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: 39.4?2
2-BENZOFURANACETIC ACID, ETHYL ESTER Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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