Cas no 2457-50-3 (1-(1-oxidopyridin-6-yl)ethanone)
2457-50-3 structure
Product Name:1-(1-oxidopyridin-6-yl)ethanone
1-(1-oxidopyridin-6-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(1-oxidopyridin-6-yl)ethanone
- 1-(1-oxidopyridin-1-ium-2-yl)ethanone
- 1-(1-Oxidopyridin-2-yl)ethanone
- ethanone, 1-(1-oxido-2-pyridinyl)-
- 2-acetylpyridine n-oxide
- 2457-50-3
- Ethanone,1-(1-oxido-2-pyridinyl)-(9ci)
- VHZYBRINFLDXLR-UHFFFAOYSA-N
- 2-acetyl-pyridine-N-oxide
- NSC-358369
- Ethanone, 1-(1-oxido-2-pyridinyl)- (9CI)
- DTXSID80320359
- NSC358369
- SCHEMBL4833163
- 2-acetylpyridine-N-oxide
- 2-Acetylpyridine 1-oxide
-
- Inchi： 1S/C7H7NO2/c1-6(9)7-4-2-3-5-8(7)10/h2-5H,1H3
- InChI Key： VHZYBRINFLDXLR-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC=CC=1C(C)=O
Computed Properties
- Exact Mass: 137.04771
- Monoisotopic Mass: 137.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 136
- 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: 42.5A^2
- XLogP3: -0.1
Experimental Properties
- Density: 1.13
- Boiling Point: 347.3°Cat760mmHg
- Flash Point: 163.8°C
- Refractive Index: 1.535
- PSA: 44.01
- LogP: 1.31770
1-(1-oxidopyridin-6-yl)ethanone Related Literature
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Sumit K. Ray,Subhrajit Rout,Vinod K. Singh Org. Biomol. Chem. 2013 11 2412
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Amparo Sanz-Marco,Daniel Esperilla,Marc Montesinos-Magraner,Carlos Vila,M. Carmen Mu?oz,José R. Pedro,Gonzalo Blay Org. Biomol. Chem. 2023 21 345
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Amparo Sanz-Marco,Daniel Esperilla,Marc Montesinos-Magraner,Carlos Vila,M. Carmen Mu?oz,José R. Pedro,Gonzalo Blay Org. Biomol. Chem. 2023 21 345
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Aleksei B. Sheremetev Russ. Chem. Rev. 1999 68 137
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