Cas no 914934-16-0 (2-Hydroxy-3-methylpyridin-4(1H)-one)
914934-16-0 structure
Product Name:2-Hydroxy-3-methylpyridin-4(1H)-one
CAS No:914934-16-0
MF:C6H7NO2
MW:125.125281572342
CID:787480
PubChem ID:54723665
Update Time:2025-04-19
2-Hydroxy-3-methylpyridin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Hydroxy-3-methylpyridin-4(1H)-one
- 4(1H)-Pyridinone, 2-hydroxy-3-methyl-
- DTXSID701295243
- hydroxy-methylpyridinone
- 4-hydroxy-3-methyl-1,2-dihydropyridin-2-one
- DS-15876
- 4-hydroxy-3-methyl-1H-pyridin-2-one
- 1822892-01-2
- 4-Hydroxy-3-methyl-2(1H)-pyridinone
- FT-0768552
- SCHEMBL9670289
- AKOS016003548
- 4664-14-6
- CS-0153431
- 4-Hydroxy-3-methylpyridin-2(1H)-one
- 914934-16-0
- D94824
-
- Inchi: 1S/C6H7NO2/c1-4-5(8)2-3-7-6(4)9/h2-3H,1H3,(H2,7,8,9)
- InChI Key: IJZCZJQEMCSKHX-UHFFFAOYSA-N
- SMILES: OC1C=CNC(C=1C)=O
Computed Properties
- Exact Mass: 125.048
- Monoisotopic Mass: 125.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 203
- 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
- Topological Polar Surface Area: 49.3A^2
- XLogP3: -0.1
2-Hydroxy-3-methylpyridin-4(1H)-one Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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