Cas no 942060-11-9 (5-Methoxy-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester)
942060-11-9 structure
Product Name:5-Methoxy-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
CAS No:942060-11-9
MF:C8H12N2O3
MW:184.192481994629
CID:2116216
Update Time:2023-08-03
5-Methoxy-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- ethyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate
- INJXNFCGLPGEFW-UHFFFAOYSA-N
- 5-methoxy-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
- 5-Methoxy-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
-
- Inchi： 1S/C8H12N2O3/c1-4-13-8(11)6-5-7(12-3)9-10(6)2/h5H,4H2,1-3H3
- InChI Key： INJXNFCGLPGEFW-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC(=NN1C)OC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 186
- Topological Polar Surface Area: 53.4
5-Methoxy-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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