Cas no 349494-87-7 (5-Ethoxycarbonyl-2-ethylpyrazole-3-carboxylic acid)
349494-87-7 structure
Product Name:5-Ethoxycarbonyl-2-ethylpyrazole-3-carboxylic acid
CAS No:349494-87-7
MF:C9H12N2O4
MW:212.202582359314
CID:2113217
Update Time:2023-08-04
5-Ethoxycarbonyl-2-ethylpyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(ethoxycarbonyl)-1-ethyl-1H-pyrazole-5-carboxylic acid
- 5-Ethoxycarbonyl-2-ethylpyrazole-3-carboxylic acid
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- Inchi： 1S/C9H12N2O4/c1-3-11-7(8(12)13)5-6(10-11)9(14)15-4-2/h5H,3-4H2,1-2H3,(H,12,13)
- InChI Key： XUOOPOPVQJQVPH-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C(=O)O)N(CC)N=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 257
- Topological Polar Surface Area: 81.4
5-Ethoxycarbonyl-2-ethylpyrazole-3-carboxylic acid Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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