| CAS Number | 1250404-35-3 |
| Catalog Number | AG009EWP(AGN-PC-0WO1YZ) |
| Chemical Name | 5-(Isoxazol-3-yl)oxazole-4-carboxylic acid |
| IUPAC Name | 5-(1,2-oxazol-3-yl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C7H4N2O4/c10-7(11)5-6(12-3-8-5)4-1-2-13-9-4/h1-3H,(H,10,11) |
| InChI Key | MHJMDBBAEVYPIZ-UHFFFAOYSA-N |
| MDL Number | MFCD16112428 |
| Molecular Formula | C7H4N2O4 |
| Molecular Weight | 180.1177 |
| SMILES | OC(C1=C(C2=NOC=C2)OC=N1)=O |
| Synonyms | 5-(Isoxazol-3-yl)oxazole-4-carboxylic acid,
1250404-35-3,
5-(1,2-oxazol-3-yl)-1,3-oxazole-4-carboxylic acid,
AC1Q72J6,
SCHEMBL12478923,
ZINC44588102,
AKOS008151246,
MCULE-9999756848,
EN300-72591,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.119g/mol |
| Monoisotopic Mass | 180.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number