Cas no 39954-19-3 (2(1H)-Pyridinone,3,6-dihydroxy-)
39954-19-3 structure
Product Name:2(1H)-Pyridinone,3,6-dihydroxy-
CAS No:39954-19-3
MF:C5H5NO3
MW:127.098101377487
CID:316227
PubChem ID:440020
Update Time:2025-04-19
2(1H)-Pyridinone,3,6-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone,3,6-dihydroxy-
- pyridine-2,3,6-triol
- 39954-19-3
- 5,6-dihydroxy-1H-pyridin-2-one
- SCHEMBL8506756
- Q27102025
- DTXSID701305543
- C03458
- 3,6-Dihydroxy-2(1H)-pyridinone
- CHEBI:16683
- 2,3,6-Trihydroxypyridine
-
- Inchi： 1S/C5H5NO3/c7-3-1-2-4(8)6-5(3)9/h1-2,7H,(H2,6,8,9)
- InChI Key： YXJHZIOEJRCYHK-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(N1)=O)O
Computed Properties
- Exact Mass: 127.02695
- Monoisotopic Mass: 127.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 204
- 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: -0.6
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.56
2(1H)-Pyridinone,3,6-dihydroxy- Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
39954-19-3 (2(1H)-Pyridinone,3,6-dihydroxy-) Related Products
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