Cas no 61327-45-5 (3-Pyridinecarboxylic acid, 1,2-dihydro-1,4-dimethyl-2-oxo-, methyl ester)
61327-45-5 structure
Product Name:3-Pyridinecarboxylic acid, 1,2-dihydro-1,4-dimethyl-2-oxo-, methyl ester
CAS No:61327-45-5
MF:C9H11NO3
MW:181.188542604446
CID:483860
PubChem ID:12342649
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 1,2-dihydro-1,4-dimethyl-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylic acid, 1,2-dihydro-1,4-dimethyl-2-oxo-, methyl ester
- methyl 1,4-dimethyl-2-oxopyridine-3-carboxylate
- Methyl 1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate
- DTXSID70492216
- 61327-45-5
-
- Inchi： 1S/C9H11NO3/c1-6-4-5-10(2)8(11)7(6)9(12)13-3/h4-5H,1-3H3
- InChI Key： ZUGJVANZLROQMX-UHFFFAOYSA-N
- SMILES： O(C)C(C1C(N(C)C=CC=1C)=O)=O
Computed Properties
- Exact Mass: 181.07393
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 315
- 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
- XLogP3: 0.4
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61
3-Pyridinecarboxylic acid, 1,2-dihydro-1,4-dimethyl-2-oxo-, methyl ester Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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