Cas no 317383-70-3 (1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-3-oxo-, methyl ester)
317383-70-3 structure
Product Name:1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-3-oxo-, methyl ester
CAS No:317383-70-3
MF:C7H9NO3
MW:155.151262044907
CID:301207
Update Time:2024-01-27
1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-3-oxo-, methyl ester
- 1(2H)-Pyridinecarboxylicacid,3,6-dihydro-3-oxo-,methylester(9CI)
- methyl 3-oxo-2,6-dihydropyridine-1-carboxylate
- 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3-oxo-, methyl ester
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- Inchi： 1S/C7H9NO3/c1-11-7(10)8-4-2-3-6(9)5-8/h2-3H,4-5H2,1H3
- InChI Key： CKSQILOEOPNHGL-UHFFFAOYSA-N
- SMILES： C1N(C(OC)=O)CC=CC1=O
Computed Properties
- Exact Mass: 155.058
- Monoisotopic Mass: 155.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.6A^2
Experimental Properties
- Density: 1.241±0.06 g/cm3(Predicted)
- Boiling Point: 272.3±39.0 °C(Predicted)
- pka: -2.02±0.20(Predicted)
1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-3-oxo-, methyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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