Cas no 26692-50-2 (Propanenitrile,2-methyl-3-oxo-)
26692-50-2 structure
Product Name:Propanenitrile,2-methyl-3-oxo-
Propanenitrile,2-methyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,2-methyl-3-oxo-
- 2-methyl-3-oxopropanenitrile
- .alpha.-Cyanopropionaldehyde
- alpha-Cyanopropionaldehyde
- 26692-50-2
- FT-0709612
- cyanopropionic aldehyde
- DTXSID50949511
-
- Inchi： 1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3
- InChI Key： IATHTLTVQXMDPC-UHFFFAOYSA-N
- SMILES： O=CC(C#N)C
Computed Properties
- Exact Mass: 83.03715
- Monoisotopic Mass: 83.037113783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 89
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Propanenitrile,2-methyl-3-oxo- Related Literature
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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