| CAS Number | 1554401-30-7 |
| Catalog Number | AG01EHPL |
| Chemical Name | 3-(4-morpholinyl)-5-isoxazolecarboxylic acid |
| IUPAC Name | 3-morpholin-4-yl-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H10N2O4/c11-8(12)6-5-7(9-14-6)10-1-3-13-4-2-10/h5H,1-4H2,(H,11,12) |
| InChI Key | APMXDZYKRLONAO-UHFFFAOYSA-N |
| MDL Number | MFCD22394694 |
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.176 |
| SMILES | C1(C(O)=O)ON=C(N2CCOCC2)C=1 |
| Synonyms | 1554401-30-7,
3-(4-morpholinyl)-5-isoxazolecarboxylic acid,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.064057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.18g/mol |
| Monoisotopic Mass | 198.064057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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