Cas no 27044-48-0 (2,3-Dimethyl-benzofuran-4-carboxylic acid methyl ester)
27044-48-0 structure
Product Name:2,3-Dimethyl-benzofuran-4-carboxylic acid methyl ester
CAS No:27044-48-0
MF:C12H12O3
MW:204.221883773804
CID:2151019
Update Time:2023-08-05
2,3-Dimethyl-benzofuran-4-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethyl-benzofuran-4-carboxylic acid methyl ester
- Methyl 2,3-dimethylbenzofuran-4-carboxylate
- KYJYFDKWOQCVLF-UHFFFAOYSA-N
- 2,3-Dimethyl-benzofuran-4-carboxylic acid methyl ester
-
- Inchi： 1S/C12H12O3/c1-7-8(2)15-10-6-4-5-9(11(7)10)12(13)14-3/h4-6H,1-3H3
- InChI Key： KYJYFDKWOQCVLF-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C)C2C(C(=O)OC)=CC=CC1=2
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 251
- Topological Polar Surface Area: 39.4
2,3-Dimethyl-benzofuran-4-carboxylic acid methyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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