Cas no 86964-95-6 (4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo-)
86964-95-6 structure
Product Name:4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo-
CAS No:86964-95-6
MF:C7H7NO4
MW:169.134782075882
CID:582426
PubChem ID:15597480
Update Time:2025-04-19
4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo-
- 2-hydroxy-1-methyl-6-oxopyridine-4-carboxylic acid
- DTXSID60575441
- SCHEMBL10796031
- 6-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
- 86964-95-6
-
- Inchi： 1S/C7H7NO4/c1-8-5(9)2-4(7(11)12)3-6(8)10/h2-3,9H,1H3,(H,11,12)
- InChI Key： MLKFZAMYCJWGSN-UHFFFAOYSA-N
- SMILES： OC1=CC(C(=O)O)=CC(N1C)=O
Computed Properties
- Exact Mass: 169.03750770g/mol
- Monoisotopic Mass: 169.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 303
- 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: -0.5
- Topological Polar Surface Area: 77.8?2
4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
86964-95-6 (4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo-) Related Products
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