| CAS Number | 1516807-24-1 |
| Catalog Number | AG01C0K6 |
| Chemical Name | 2-(Methoxycarbonyl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-methoxycarbonyl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C6H5NO4S/c1-11-6(10)4-7-3(2-12-4)5(8)9/h2H,1H3,(H,8,9) |
| InChI Key | COKXDXWVDHGSHT-UHFFFAOYSA-N |
| MDL Number | MFCD30749934 |
| Molecular Formula | C6H5NO4S |
| Molecular Weight | 187.1732 |
| SMILES | COC(=O)C=1SC=C(N1)C(=O)O |
| Synonyms | 2-(Methoxycarbonyl)thiazole-4-carboxylic acid,
2-(methoxycarbonyl)-1,3-thiazole-4-carboxylic acid,
1516807-24-1,
SCHEMBL17716404,
ZINC75852270,
AKOS023100629,
N/A,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.169g/mol |
| Monoisotopic Mass | 186.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number