Cas no 154012-21-2 (1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-, ethyl ester)
154012-21-2 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-, ethyl ester
CAS No:154012-21-2
MF:C13H14N2O2
MW:230.262463092804
CID:1328635
Update Time:2024-08-18
1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-, ethyl ester
- 1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-, ethyl ester
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- Inchi： 1S/C13H14N2O2/c1-3-17-13(16)11-8-14-15(9-11)12-6-4-5-10(2)7-12/h4-9H,3H2,1-2H3
- InChI Key： SJMRZPUFSTUJQA-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC(C)=C2)C=C(C(OCC)=O)C=N1
Computed Properties
- Exact Mass: 230.10562
Experimental Properties
- Density: 1.13±0.1 g/cm3(Predicted)
- Boiling Point: 353.5±25.0 °C(Predicted)
- PSA: 44.12
- pka: -2.43±0.12(Predicted)
1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-, ethyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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