| CAS Number | 1892520-49-8 |
| Catalog Number | AG01EHX3 |
| Chemical Name | (S)-3-(PYRROLIDIN-2-YL)ISOXAZOLE |
| IUPAC Name | 3-[(2S)-pyrrolidin-2-yl]-1,2-oxazole |
| InChI | InChI=1S/C7H10N2O/c1-2-6(8-4-1)7-3-5-10-9-7/h3,5-6,8H,1-2,4H2/t6-/m0/s1 |
| InChI Key | KZNBAFGPZDBPKD-LURJTMIESA-N |
| MDL Number | MFCD31616715 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | C1([C@H]2NCCC2)=NOC=C1 |
| Synonyms | SCHEMBL17064095,
ZINC66323466,
3-[(2S)-pyrrolidin-2-yl]-1,2-oxazole,
1892520-49-8,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number