| CAS Number | 60666-91-3 |
| Catalog Number | AG01AUNV(AGN-PC-0NIVYD) |
| Chemical Name | 3-Methoxy-1,2-thiazole-4-carboxylic acid |
| IUPAC Name | 3-methoxy-1,2-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C5H5NO3S/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8) |
| InChI Key | HFIVBUVVMPQPTK-UHFFFAOYSA-N |
| MDL Number | MFCD20642441 |
| Molecular Formula | C5H5NO3S |
| Molecular Weight | 159.1631 |
| SMILES | COC1C(C(O)=O)=CSN=1 |
| Synonyms | 3-methoxy-1,2-thiazole-4-carboxylic acid,
60666-91-3,
4-carboxy-3-methoxyisothiazole,
SCHEMBL8302264,
HFIVBUVVMPQPTK-UHFFFAOYSA-N,
ZINC20441944,
AKOS022635907,
Z1262521358,
3-methoxyisothiazole-4-carboxylic acid,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.159g/mol |
| Monoisotopic Mass | 158.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number