Cas no 791054-53-0 (2-Benzofurancarboxylicacid, 5-amino-7-methyl-, ethyl ester)
791054-53-0 structure
Product Name:2-Benzofurancarboxylicacid, 5-amino-7-methyl-, ethyl ester
CAS No:791054-53-0
MF:C12H13NO3
MW:219.236523389816
CID:555467
PubChem ID:45097636
Update Time:2025-04-19
2-Benzofurancarboxylicacid, 5-amino-7-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Benzofurancarboxylicacid, 5-amino-7-methyl-, ethyl ester
- 2-Benzofurancarboxylicacid,5-amino-7-methyl-,ethylester(9CI)
- 791054-53-0
- ethyl 5-amino-7-methylbenzofuran-2-carboxylate
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- Inchi: 1S/C12H13NO3/c1-3-15-12(14)10-6-8-5-9(13)4-7(2)11(8)16-10/h4-6H,3,13H2,1-2H3
- InChI Key: OWFQFJXEYHWMAN-UHFFFAOYSA-N
- SMILES: O1C(C(=O)OCC)=CC2C=C(C=C(C)C1=2)N
Computed Properties
- Exact Mass: 219.09
- Monoisotopic Mass: 219.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 65.5A^2
- XLogP3: 2.6
2-Benzofurancarboxylicacid, 5-amino-7-methyl-, ethyl ester Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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