Cas no 181063-62-7 (Methyl 3-ethoxy-5-methylthiophene-2-carboxylate)
181063-62-7 structure
Product Name:Methyl 3-ethoxy-5-methylthiophene-2-carboxylate
CAS No:181063-62-7
MF:C9H12O3S
MW:200.254781723022
CID:1020040
PubChem ID:45093881
Update Time:2024-02-29
Methyl 3-ethoxy-5-methylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid,3-ethoxy-5-methyl-,methylester(9CI)
- methyl 3-ethoxy-5-methylthiophene-2-carboxylate
- 2-thiophenecarboxylic acid,3-ethoxy-5-methyl-,methyl ester
- Methyl 3-ethoxy-5-methylthiophene-2-carboxylate
-
- Inchi： 1S/C9H12O3S/c1-4-12-7-5-6(2)13-8(7)9(10)11-3/h5H,4H2,1-3H3
- InChI Key： WXEPKVSQKUOKJG-UHFFFAOYSA-N
- SMILES： S1C(C)=CC(=C1C(=O)OC)OCC
Computed Properties
- Exact Mass: 200.051
- Monoisotopic Mass: 200.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 184
- 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: 63.8
- XLogP3: 2.5
Methyl 3-ethoxy-5-methylthiophene-2-carboxylate Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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