Cas no 62566-60-3 (3,5-Pyridinediol, 1-oxide)
3,5-Pyridinediol, 1-oxide structure
Product Name:3,5-Pyridinediol, 1-oxide
CAS No:62566-60-3
MF:C5H5NO3
MW:127.098101377487
CID:439962
PubChem ID:12307862
Update Time:2025-04-19
3,5-Pyridinediol, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyridinediol, 1-oxide
- 1-oxidopyridin-1-ium-3,5-diol
- 3,5-Pyridinediol,1-oxide(9CI)
- 62566-60-3
- DTXSID90487043
-
- Inchi： 1S/C5H5NO3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-8H
- InChI Key： NUVWNIAGMVQUGZ-UHFFFAOYSA-N
- SMILES： OC1C=[N+](C=C(C=1)O)[O-]
Computed Properties
- Exact Mass: 127.02695
- Monoisotopic Mass: 127.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 88.2
- 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: -0.9
- Topological Polar Surface Area: 65.9?2
Experimental Properties
- PSA: 67.4
3,5-Pyridinediol, 1-oxide Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
62566-60-3 (3,5-Pyridinediol, 1-oxide) Related Products
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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