| CAS Number | 59855-96-8 |
| Catalog Number | AG01BAEK |
| Chemical Name | 2-(Methoxymethyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C6H7NO3S/c1-10-3-5-7-2-4(11-5)6(8)9/h2H,3H2,1H3,(H,8,9) |
| InChI Key | LEBZOHUAJZKARI-UHFFFAOYSA-N |
| MDL Number | MFCD14690990 |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.1897 |
| SMILES | COCc1ncc(s1)C(=O)O |
| Synonyms | 59855-96-8,
2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid,
5-Thiazolecarboxylic acid, 2-(methoxymethyl)-,
SCHEMBL3121010,
ZINC49672143,
AKOS010815740,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.014664g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.19g/mol |
| Monoisotopic Mass | 173.014664g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number