Cas no 52526-10-0 (2,5-Pyridinedicarboxylicacid, 5-methyl ester, 1-oxide)
52526-10-0 structure
Product Name:2,5-Pyridinedicarboxylicacid, 5-methyl ester, 1-oxide
CAS No:52526-10-0
MF:C8H7NO5
MW:197.144882440567
CID:379469
PubChem ID:19960373
Update Time:2025-04-19
2,5-Pyridinedicarboxylicacid, 5-methyl ester, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Pyridinedicarboxylicacid, 5-methyl ester, 1-oxide
- 5-methoxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid
- 52526-10-0
- SCHEMBL8875737
- GNTXKGMUTHUFBL-UHFFFAOYSA-N
- NSC-157763
- 5-(Methoxycarbonyl)-1-oxo-1lambda~5~-pyridine-2-carboxylic acid
- 5-Methoxycarbonylpyridine-2-carboxylic acid 1-oxide
- NSC157763
- 5-Methoxycarbonylpyridine-2-carboxylic acid-1-oxide
- DTXSID10601486
-
- Inchi： 1S/C8H7NO5/c1-14-8(12)5-2-3-6(7(10)11)9(13)4-5/h2-4H,1H3,(H,10,11)
- InChI Key： GNTXKGMUTHUFBL-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(C(=O)O)=[N+](C=1)[O-])=O
Computed Properties
- Exact Mass: 198.04024
- Monoisotopic Mass: 197.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 242
- 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: 0.1
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- PSA: 83.68
2,5-Pyridinedicarboxylicacid, 5-methyl ester, 1-oxide Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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