| CAS Number | 115311-46-1 |
| Catalog Number | AG019L21(AGN-PC-00PZQZ) |
| Chemical Name | 2-(Furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C9H7NO3S/c1-5-7(9(11)12)10-8(14-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12) |
| InChI Key | YMBJXVRGYQUGHR-UHFFFAOYSA-N |
| MDL Number | MFCD09802169 |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.2218 |
| SMILES | CC1=C(C(O)=O)N=C(C2OC=CC=2)S1 |
| Synonyms | 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylic acid,
115311-46-1,
2-(2-furyl)-5-methyl-1,3-thiazole-4-carboxylic acid,
AC1Q2FMZ,
SCHEMBL9823766,
CTK7J0926,
ZINC12810446,
AKOS022539992,
MCULE-4475400873,
NE34712,
EN300-29582,
Z235354629,
|
| 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