Cas no 1179986-55-0 (Ethyl 5-methoxy-1-benzofuran-3-carboxylate)
1179986-55-0 structure
Product Name:Ethyl 5-methoxy-1-benzofuran-3-carboxylate
CAS No:1179986-55-0
MF:C12H12O4
MW:220.221283912659
CID:2118801
Update Time:2023-08-03
Ethyl 5-methoxy-1-benzofuran-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxy-3-Benzofurancarboxylic acid ethyl ester
- ethyl 5-methoxy-1-benzofuran-3-carboxylate
- ethyl 5-methoxybenzofuran-3-carboxylate
- Ethyl 5-methoxy-1-benzofuran-3-carboxylate
-
- Inchi： 1S/C12H12O4/c1-3-15-12(13)10-7-16-11-5-4-8(14-2)6-9(10)11/h4-7H,3H2,1-2H3
- InChI Key： YCIOGNACFKSXGI-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OCC)C2C=C(C=CC1=2)OC
Computed Properties
- Exact Mass: 220.074
- Monoisotopic Mass: 220.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 253
- 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: 48.7
Ethyl 5-methoxy-1-benzofuran-3-carboxylate Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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