| CAS Number | 1894776-19-2 |
| Catalog Number | AG01BXIM |
| Chemical Name | methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate |
| IUPAC Name | methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate |
| InChI | InChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3 |
| InChI Key | YIILUFDXAKNGKX-UHFFFAOYSA-N |
| MDL Number | MFCD30487823 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | COC(C(C1SC=CN=1)(C)C)=O |
| Synonyms | methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate,
1894776-19-2,
ZINC259669558,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number