| CAS Number | 1909312-82-8 |
| Catalog Number | AG01C43F |
| Chemical Name | 3-methoxy-1,2-thiazole-5-carboxylic acid |
| IUPAC Name | 3-methoxy-1,2-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C5H5NO3S/c1-9-4-2-3(5(7)8)10-6-4/h2H,1H3,(H,7,8) |
| InChI Key | SVBOIEXGALEPEE-UHFFFAOYSA-N |
| MDL Number | MFCD29762992 |
| Molecular Formula | C5H5NO3S |
| Molecular Weight | 159.1631 |
| SMILES | COC1=NSC(C(O)=O)=C1 |
| Synonyms | 3-methoxy-1,2-thiazole-5-carboxylic acid,
1909312-82-8,
AKOS033883582,
ZINC306543688,
Z2379087683,
|
| 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 | 1.1 |
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Certificate of Analysis
Lot Number