| CAS Number | 1249272-93-2 |
| Catalog Number | AG01EHSJ |
| Chemical Name | ethyl 2-(dimethyl-1,3-thiazol-2-yl)acetate |
| IUPAC Name | ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C9H13NO2S/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3 |
| InChI Key | XUWPJYUWXVDIRE-UHFFFAOYSA-N |
| MDL Number | MFCD14619015 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.27 |
| SMILES | CCOC(CC1SC(C)=C(C)N=1)=O |
| Synonyms | AKOS009040825,
ETHYL 2-(DIMETHYL-1,3-THIAZOL-2-YL)ACETATE,
1249272-93-2,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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