Cas no 768352-18-7 (Methyl 5-amino-3-methylbenzofuran-2-carboxylate)
768352-18-7 structure
Product Name:Methyl 5-amino-3-methylbenzofuran-2-carboxylate
CAS No:768352-18-7
MF:C11H11NO3
MW:205.209943056107
CID:551103
Update Time:2023-08-02
Methyl 5-amino-3-methylbenzofuran-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2-Benzofurancarboxylicacid, 5-amino-3-methyl-, methyl ester
- 2-Benzofurancarboxylicacid,5-amino-3-methyl-,methylester(9CI)
- methyl 5-amino-3-methylbenzofuran-2-carboxylate
- Methyl 5-amino-3-methylbenzofuran-2-carboxylate
-
- Inchi： 1S/C11H11NO3/c1-6-8-5-7(12)3-4-9(8)15-10(6)11(13)14-2/h3-5H,12H2,1-2H3
- InChI Key： LRSGJCNVFHELLG-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)=C(C)C2C=C(C=CC1=2)N
Computed Properties
- Exact Mass: 205.074
- Monoisotopic Mass: 205.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 65.5
Methyl 5-amino-3-methylbenzofuran-2-carboxylate Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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