| CAS Number | 1240526-58-2 |
| Catalog Number | AG01A9PX(AGN-PC-0WO1J5) |
| Chemical Name | 5-(2-Methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid |
| IUPAC Name | 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid |
| InChI | InChI=1S/C9H7NO3S/c1-5-10-7(4-14-5)8-2-6(3-13-8)9(11)12/h2-4H,1H3,(H,11,12) |
| InChI Key | RIRGICPHIMIPQF-UHFFFAOYSA-N |
| MDL Number | MFCD16622187 |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.2218 |
| SMILES | CC1SC=C(C2OC=C(C(O)=O)C=2)N=1 |
| Synonyms | 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid,
1240526-58-2,
AC1Q2ORE,
CHEMBL3453042,
ZINC57218468,
AKOS012099581,
MCULE-4689648371,
NE43864,
EN300-65785,
Z1171978880,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.219g/mol |
| Monoisotopic Mass | 209.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number