| CAS Number | 1014630-48-8 |
| Catalog Number | AG01C49Y |
| Chemical Name | 2-(Pyridin-3-yl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-pyridin-3-yl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C9H6N2O3/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-5H,(H,12,13) |
| InChI Key | WLESRXJDGURDDG-UHFFFAOYSA-N |
| MDL Number | MFCD18260286 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | OC(C1N=C(C2=CN=CC=C2)OC=1)=O |
| Synonyms | 2-(pyridin-3-yl)-1,3-oxazole-4-carboxylic acid,
1014630-48-8,
SCHEMBL12571348,
ZINC71500566,
AKOS022536834,
Z2509351268,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.158g/mol |
| Monoisotopic Mass | 190.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number