Cas no 62885-52-3 (2-Pyridinecarboxylic acid, 4,5-dimethoxy-, methyl ester)
62885-52-3 structure
Product Name:2-Pyridinecarboxylic acid, 4,5-dimethoxy-, methyl ester
CAS No:62885-52-3
MF:C9H11NO4
MW:197.187942743301
CID:429210
PubChem ID:71381982
Update Time:2025-04-19
2-Pyridinecarboxylic acid, 4,5-dimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylic acid, 4,5-dimethoxy-, methyl ester
- methyl 4,5-dimethoxypyridine-2-carboxylate
- 62885-52-3
- DTXSID90804392
-
- Inchi： 1S/C9H11NO4/c1-12-7-4-6(9(11)14-3)10-5-8(7)13-2/h4-5H,1-3H3
- InChI Key： IASOBOSHXBVUTN-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C(=O)OC)=NC=C1OC
Computed Properties
- Exact Mass: 197.06883
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 197
- 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: 1
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 57.65
2-Pyridinecarboxylic acid, 4,5-dimethoxy-, methyl ester Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
62885-52-3 (2-Pyridinecarboxylic acid, 4,5-dimethoxy-, methyl ester) Related Products
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