| CAS Number | 17281-11-7 |
| Catalog Number | AG01C4N7(AGN-PC-0NEWD3) |
| Chemical Name | 3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-one |
| IUPAC Name | 3-cyclopropyl-4H-1,2-oxazol-5-one |
| InChI | InChI=1S/C6H7NO2/c8-6-3-5(7-9-6)4-1-2-4/h4H,1-3H2 |
| InChI Key | ZQNWHKVSUWIRPR-UHFFFAOYSA-N |
| MDL Number | MFCD18909443 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | O=C1ON=C(C1)C1CC1 |
| Synonyms | 3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-one,
17281-11-7,
3-cyclopropyl isoxazolinone,
3-cyclopropyl-4H-1,2-oxazol-5-one,
CID11040700,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number