| CAS Number | 1423031-12-2 |
| Catalog Number | AG01A2QN(AGN-PC-0WO35W) |
| Chemical Name | 2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H9NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h4,6H,1-3H2,(H,10,11) |
| InChI Key | KAZDULIBDQUOFX-UHFFFAOYSA-N |
| MDL Number | MFCD20994537 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.2270 |
| SMILES | O1C(CCC1)C=1SC=C(N1)C(=O)O |
| Synonyms | 2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid,
1423031-12-2,
STL302018,
AKOS014666325,
NE25141,
Z1520645392,
2-(tetrahydrofuran-2-yl)-1,3-thiazole-4-carboxylic acid,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number