Cas no 658081-77-7 (1H-Pyrazole-3,4-dicarboxylic acid, 5-phenyl-, 4-ethyl ester)
658081-77-7 structure
Product Name:1H-Pyrazole-3,4-dicarboxylic acid, 5-phenyl-, 4-ethyl ester
CAS No:658081-77-7
MF:C13H12N2O4
MW:260.245383262634
CID:1691755
Update Time:2024-09-02
1H-Pyrazole-3,4-dicarboxylic acid, 5-phenyl-, 4-ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3,4-dicarboxylic acid, 5-phenyl-, 4-ethyl ester
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- Inchi： 1S/C13H12N2O4/c1-2-19-13(18)9-10(8-6-4-3-5-7-8)14-15-11(9)12(16)17/h3-7H,2H2,1H3,(H,14,15)(H,16,17)
- InChI Key： MIRDSRGSZWAQEA-UHFFFAOYSA-N
- SMILES： N1C(C2=CC=CC=C2)=C(C(OCC)=O)C(C(O)=O)=N1
Computed Properties
- Exact Mass: 259.07193
Experimental Properties
- Density: 1.347±0.06 g/cm3(Predicted)
- Boiling Point: 556.5±50.0 °C(Predicted)
- PSA: 95.11
- pka: 3.04±0.10(Predicted)
1H-Pyrazole-3,4-dicarboxylic acid, 5-phenyl-, 4-ethyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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