| CAS Number | 2059949-66-3 |
| Catalog Number | AG01BS0Y |
| Chemical Name | ethyl 4-(benzyloxy)-5-methyl-1,3-thiazole-2-carboxylate |
| IUPAC Name | ethyl 5-methyl-4-phenylmethoxy-1,3-thiazole-2-carboxylate |
| InChI | InChI=1S/C14H15NO3S/c1-3-17-14(16)13-15-12(10(2)19-13)18-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3 |
| InChI Key | QECOQVJHLRQBII-UHFFFAOYSA-N |
| MDL Number | MFCD30535994 |
| Molecular Formula | C14H15NO3S |
| Molecular Weight | 277.3388 |
| SMILES | CCOC(C1SC(C)=C(OCC2=CC=CC=C2)N=1)=O |
| Synonyms | ethyl 4-(benzyloxy)-5-methyl-1,3-thiazole-2-carboxylate,
2059949-66-3,
ZINC584880245,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.338g/mol |
| Monoisotopic Mass | 277.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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