Cas no 7463-58-3 (3(6H)-Pyridinone,2-(hydroxyamino)-6-imino-5-methyl-, oxime)
7463-58-3 structure
Product Name:3(6H)-Pyridinone,2-(hydroxyamino)-6-imino-5-methyl-, oxime
3(6H)-Pyridinone,2-(hydroxyamino)-6-imino-5-methyl-, oxime Chemical and Physical Properties
Names and Identifiers
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- 3(6H)-Pyridinone,2-(hydroxyamino)-6-imino-5-methyl-, oxime
- N-(6-amino-5-methyl-2-nitrosopyridin-3-yl)hydroxylamine
- 5-Methyl-pyridin-2,3,6-trion-6-imin-2,3-dioxim
- 5-methyl-pyridine-2,3,6-trione-6-imine-2,3-dioxime
- AC1L852D
- NSC404704
- NSC-404704
- DTXSID00323706
- 7463-58-3
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- Inchi： 1S/C6H8N4O2/c1-3-2-4(9-11)6(10-12)8-5(3)7/h2,9,11H,1H3,(H2,7,8)
- InChI Key： JEJYVUSCTNXVNB-UHFFFAOYSA-N
- SMILES： ONC1=C(N=O)N=C(C(C)=C1)N
Computed Properties
- Exact Mass: 168.06484
- Monoisotopic Mass: 168.06472551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 166
- 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: 101?2
Experimental Properties
- PSA: 100.6
- LogP: 0.05730
3(6H)-Pyridinone,2-(hydroxyamino)-6-imino-5-methyl-, oxime Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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