| CAS Number | 886501-68-4 |
| Catalog Number | AG00IFAY(AGN-PC-0WOWSO) |
| Chemical Name | 2-Furan-2-yl-4-methyl-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H7NO3S/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12) |
| InChI Key | DMIJUNDFNWUZNL-UHFFFAOYSA-N |
| MDL Number | MFCD06739817 |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.2218 |
| SMILES | C1(C(O)=O)=C(C)N=C(C2=CC=CO2)S1 |
| Synonyms | 886501-68-4,
2-(2-furyl)-4-methyl-1,3-thiazole-5-carboxylic Acid,
2-(2-Furyl)-4-methylthiazole-5-carboxylic acid,
2-(furan-2-yl)-4-methylthiazole-5-carboxylic acid,
2-FURAN-2-YL-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID,
AC1OGS9V,
SCHEMBL10049086,
CTK7J1366,
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid,
ZINC4294444,
MFCD06739817,
AKOS009123623,
MCULE-6747309399,
F1967-1357,
CID7174485,
|
| 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 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number