Cas no 219652-18-3 (4-Pyridazinecarboxylic acid, 3,6-dimethyl-5-phenyl-, methyl ester)
219652-18-3 structure
Product Name:4-Pyridazinecarboxylic acid, 3,6-dimethyl-5-phenyl-, methyl ester
CAS No:219652-18-3
MF:C14H14N2O2
MW:242.273163318634
CID:1405133
Update Time:2024-08-15
4-Pyridazinecarboxylic acid, 3,6-dimethyl-5-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 4-Pyridazinecarboxylic acid, 3,6-dimethyl-5-phenyl-, methyl ester
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- Inchi： 1S/C14H14N2O2/c1-9-12(11-7-5-4-6-8-11)13(14(17)18-3)10(2)16-15-9/h4-8H,1-3H3
- InChI Key： PNTFRPVHUPGCNT-UHFFFAOYSA-N
- SMILES： C1(C)=NN=C(C)C(C2=CC=CC=C2)=C1C(OC)=O
Computed Properties
- Exact Mass: 242.10562
Experimental Properties
- Density: 1.144±0.06 g/cm3(Predicted)
- Boiling Point: 414.4±45.0 °C(Predicted)
- PSA: 52.08
- pka: 1.53±0.10(Predicted)
4-Pyridazinecarboxylic acid, 3,6-dimethyl-5-phenyl-, methyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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