| CAS Number | 1306604-60-3 |
| Catalog Number | AG01AHMG(AGN-PC-0WODSF) |
| Chemical Name | 5-methyl-4-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxylic acid |
| IUPAC Name | 5-methyl-4-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxylic acid |
| InChI | InChI=1S/C10H9NO3S/c1-5-7(3-9(14-5)10(12)13)8-4-15-6(2)11-8/h3-4H,1-2H3,(H,12,13) |
| InChI Key | QMQJWUNVRSXWDB-UHFFFAOYSA-N |
| MDL Number | MFCD18838687 |
| Molecular Formula | C10H9NO3S |
| Molecular Weight | 223.2484 |
| SMILES | CC1SC=C(C2=C(C)OC(C(O)=O)=C2)N=1 |
| Synonyms | 5-methyl-4-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxylic acid,
1306604-60-3,
ZINC68590017,
AKOS026730505,
MCULE-6303229453,
EN300-75182,
Z1696860270,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.030314g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.25g/mol |
| Monoisotopic Mass | 223.030314g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number