Cas no 38594-55-7 (2,3,6-Trimethyl-4-nitro-1-oxo-1lambda~5~-pyridine)
38594-55-7 structure
Product Name:2,3,6-Trimethyl-4-nitro-1-oxo-1lambda~5~-pyridine
CAS No:38594-55-7
MF:C8H10N2O3
MW:182.176601886749
CID:2825132
Update Time:2023-08-07
2,3,6-Trimethyl-4-nitro-1-oxo-1lambda~5~-pyridine Chemical and Physical Properties
Names and Identifiers
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- 2,3,6-trimethyl-4-nitropyridine N-oxide
- 2,3,6-Trimethyl-4-nitro-1-oxo-1lambda~5~-pyridine
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- Inchi： 1S/C8H10N2O3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4H,1-3H3
- InChI Key： YKPBNPIFKOZLBI-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(C)=CC(=C(C)C=1C)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 204
- XLogP3: 0.9
- Topological Polar Surface Area: 71.3
2,3,6-Trimethyl-4-nitro-1-oxo-1lambda~5~-pyridine Related Literature
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
38594-55-7 (2,3,6-Trimethyl-4-nitro-1-oxo-1lambda~5~-pyridine) Related Products
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