| Formula |
C6H6N2O2 |
| IUPAC Name |
3-[(2r)-5-oxoisoxazol-2-yl]propanenitrile |
| Molecular Mass |
138.124 g·mol−1 |
| Heat of Formation |
1.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.76 ± 1.08 D |
| Volume |
163.94 Å 3 |
| Surface Area |
168.71 Å 2 |
| HOMO Energy |
-10.11 ± 0.55 eV |
| LUMO Energy |
1.99 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2(5h)-isoxazolepropanenitrile, 5-oxo-
- 2-(2-cyanoethyl)isoxazolin-5-one
- 3-(5-ketoisoxazol-2-yl)propionitrile
- 3-(5-oxo-1,2-oxazol-2-yl)propanenitrile
- 3-(5-oxo-2-isoxazolyl)propanenitrile
|
| CAS Number(s) |
|
| InChIKey |
DNSSEQBYSHSUGR-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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