Cas no 656226-61-8 (2-Thiophenecarboxylic acid, 5-(1-methyl-1H-pyrazol-3-yl)-)
656226-61-8 structure
Product Name:2-Thiophenecarboxylic acid, 5-(1-methyl-1H-pyrazol-3-yl)-
CAS No:656226-61-8
MF:C9H8N2O2S
MW:208.237020492554
CID:1689767
Update Time:2024-08-30
2-Thiophenecarboxylic acid, 5-(1-methyl-1H-pyrazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenecarboxylic acid, 5-(1-methyl-1H-pyrazol-3-yl)-
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- Inchi： 1S/C9H8N2O2S/c1-11-5-4-6(10-11)7-2-3-8(14-7)9(12)13/h2-5H,1H3,(H,12,13)
- InChI Key： GBCGKBGORWSWRU-UHFFFAOYSA-N
- SMILES： C1(C(O)=O)SC(C2C=CN(C)N=2)=CC=1
Computed Properties
- Exact Mass: 208.03074
Experimental Properties
- Density: 1.44±0.1 g/cm3(Predicted)
- Boiling Point: 423.3±35.0 °C(Predicted)
- PSA: 55.12
- pka: 3.21±0.10(Predicted)
2-Thiophenecarboxylic acid, 5-(1-methyl-1H-pyrazol-3-yl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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