Cas no 13892-44-9 (1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, ethyl ester)
13892-44-9 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, ethyl ester
CAS No:13892-44-9
MF:C19H18N2O2
MW:306.358424663544
CID:1257345
Update Time:2024-08-03
1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, ethyl ester
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- Inchi： 1S/C19H18N2O2/c1-3-23-19(22)17-14(2)20-21(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
- InChI Key： VCKQBRCWWBKIMY-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC=C2)C(C2=CC=CC=C2)=C(C(OCC)=O)C(C)=N1
Computed Properties
- Exact Mass: 306.13694
Experimental Properties
- Density: 1.13±0.1 g/cm3(Predicted)
- Melting Point: 118-119 °C
- Boiling Point: 457.9±33.0 °C(Predicted)
- PSA: 44.12
- pka: -2.05±0.10(Predicted)
1H-Pyrazole-4-carboxylic acid, 3-methyl-1,5-diphenyl-, ethyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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