Cas no 202980-68-5 (5-acetyl-3,6-dimethyl-4-Pyridazinecarboxylic acid ethyl ester)
202980-68-5 structure
Product Name:5-acetyl-3,6-dimethyl-4-Pyridazinecarboxylic acid ethyl ester
CAS No:202980-68-5
MF:C11H14N2O3
MW:222.240462779999
CID:1108714
Update Time:2024-07-25
5-acetyl-3,6-dimethyl-4-Pyridazinecarboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-acetyl-3,6-dimethyl-4-Pyridazinecarboxylic acid ethyl ester
- 4-Pyridazinecarboxylic acid, 5-acetyl-3,6-dimethyl-, ethyl ester
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- Inchi： 1S/C11H14N2O3/c1-5-16-11(15)10-7(3)13-12-6(2)9(10)8(4)14/h5H2,1-4H3
- InChI Key： NMFNPHARMZJBHP-UHFFFAOYSA-N
- SMILES： C1(C)=NN=C(C)C(C(C)=O)=C1C(OCC)=O
Computed Properties
- Exact Mass: 222.10052
Experimental Properties
- Density: 1.143±0.06 g/cm3(Predicted)
- Boiling Point: 406.7±45.0 °C(Predicted)
- PSA: 69.15
- pka: -0.79±0.10(Predicted)
5-acetyl-3,6-dimethyl-4-Pyridazinecarboxylic acid ethyl ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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