Cas no 4966-91-0 (2(1H)-Pyridone, 4-hydroxy-1,6-dimethyl-3-nitro- (7CI,8CI))
4966-91-0 structure
Product Name:2(1H)-Pyridone, 4-hydroxy-1,6-dimethyl-3-nitro- (7CI,8CI)
CAS No:4966-91-0
MF:C7H8N2O4
MW:184.149421691895
CID:932593
PubChem ID:54708954
Update Time:2025-04-19
2(1H)-Pyridone, 4-hydroxy-1,6-dimethyl-3-nitro- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridone, 4-hydroxy-1,6-dimethyl-3-nitro- (7CI,8CI)
- AKOS006276360
- DTXSID501241876
- 2(1H)-PYRIDONE, 4-HYDROXY-1,6-DIMETHYL-3-NITRO-
- DB-268866
- 4-Hydroxy-1,6-dimethyl-3-nitro-2(1H)-pyridinone
- SCHEMBL20545770
- 4966-91-0
-
- Inchi： 1S/C7H8N2O4/c1-4-3-5(10)6(9(12)13)7(11)8(4)2/h3,10H,1-2H3
- InChI Key： KVSGLQJHGFHBTA-UHFFFAOYSA-N
- SMILES： OC1C=C(C)N(C)C(C=1[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 184.048
- Monoisotopic Mass: 184.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 337
- 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: 86.4A^2
- XLogP3: 0.7
2(1H)-Pyridone, 4-hydroxy-1,6-dimethyl-3-nitro- (7CI,8CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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