| CAS Number | 1540898-58-5 |
| Catalog Number | AG01AFCS(AGN-PC-0WORUU) |
| Chemical Name | 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H5NO4/c10-8(11)6-3-9-13-7(6)5-1-2-12-4-5/h1-4H,(H,10,11) |
| InChI Key | NBLAWCJCDVSVRQ-UHFFFAOYSA-N |
| MDL Number | MFCD24170054 |
| Molecular Formula | C8H5NO4 |
| Molecular Weight | 179.1296 |
| SMILES | OC(C1=C(C2=COC=C2)ON=C1)=O |
| Synonyms | 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid,
1540898-58-5,
ZINC96034451,
AKOS026742035,
NE42517,
5-(furan-3-yl)isoxazole-4-carboxylic acid,
Z2510258316,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.131g/mol |
| Monoisotopic Mass | 179.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number