Cas no 184368-83-0 (1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester)
184368-83-0 structure
Product Name:1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
CAS No:184368-83-0
MF:C9H13NO3
MW:183.204422712326
CID:114308
PubChem ID:18711314
Update Time:2025-04-18
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
- ethyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate
- 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
- 184368-83-0
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- Inchi： 1S/C9H13NO3/c1-3-13-9(12)10-5-4-8(11)6-7(10)2/h4-5,7H,3,6H2,1-2H3
- InChI Key： XBOIBUYXYYHINM-UHFFFAOYSA-N
- SMILES： O(CC)C(N1C=CC(CC1C)=O)=O
Computed Properties
- Exact Mass: 183.08959
- Monoisotopic Mass: 183.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
184368-83-0 (1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester) Related Products
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