| CAS Number | 66376-13-4 |
| Catalog Number | AG01AIC0(AGN-PC-0NJAMI) |
| Chemical Name | 3-Ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile |
| IUPAC Name | 3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile |
| InChI | InChI=1S/C6H8N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-3H2,1H3 |
| InChI Key | OQPITXAMDVBSMP-UHFFFAOYSA-N |
| MDL Number | MFCD18838993 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | CCC1CC(C#N)ON=1 |
| Synonyms | 3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile,
66376-13-4,
3-ethyl-4,5-dihydro-isoxazole-5-carbonitrile,
CTK1J4818,
DTXSID00501461,
AKOS026730368,
MCULE-1749280569,
NE20218,
3-Ethyl-4,5-dihydroisoxazole-5-carbonitrile,
EN300-77358,
5-Isoxazolecarbonitrile, 3-ethyl-4,5-dihydro-,
Z1259161735,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number