2-(2-Cyanoethyl)-3-isoxazolin-5-one
3-(5-oxo-1,2-oxazol-2-yl)propanenitrile
Also Known As: 4-methoxylonchocarpin|2-(2-Cyanoethyl)isoxazolin-5-one|5-Oxo-2(5H)-isoxazolepropanenitrile|3-(5-oxo-1,2-oxazol-2-yl)propanenitrile|2-(2-Cyanoethyl)-3-isoxazolin-5-one|2(5H)-Isoxazolepropanenitrile, 5-oxo-|(2-cyanoethyl)-3-isoxazolin-5-one|2-CYANOETHYLISOXAZOLIN-5-ONE|5-Oxo-3-isoxazoline-2-propionitrile|3-(5-oxo-5H-isoxazol-2-yl)-propionitrile|3-(5-oxoisoxazol-2(5H)-yl)propanenitrile|5-Oxo-2(5H)-isoxazolepropanenitrile, 9CI|5-Oxo-2(5H)-isoxazolepropanoic acid; Nitrile|3-(5-Oxo-1,2-oxazol-2(5H)-yl)propanenitrile|3-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)propanenitrile|3-(5-OXIDANYLIDENE-1,2-OXAZOL-2-YL)PROPANENITRILE
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04292 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.04292 |
| Monoisotopic Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 51580-99-5 |
|---|---|
| SMILES | C1=CN(OC1=O)CCC#N |
| InChIKey | DNSSEQBYSHSUGR-UHFFFAOYSA-N |
Product Overview
2-(2-Cyanoethyl)-3-isoxazolin-5-one (CAS 51580-99-5), with molecular formula C6H6N2O2 and molecular weight 138.04292 g/mol. IUPAC: 3-(5-oxo-1,2-oxazol-2-yl)propanenitrile.
2-(2-Cyanoethyl)-3-isoxazolin-5-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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