| CAS Number | 1282549-65-8 |
| Catalog Number | AG00HRSA(AGN-PC-0WG43A) |
| Chemical Name | Ethyl 2-formyl-5-methylthiazole-4-carboxylate |
| IUPAC Name | ethyl 2-formyl-5-methyl-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C8H9NO3S/c1-3-12-8(11)7-5(2)13-6(4-10)9-7/h4H,3H2,1-2H3 |
| InChI Key | ZUVHCPZEVTYYNR-UHFFFAOYSA-N |
| MDL Number | MFCD24387282 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.2270 |
| SMILES | CCOC(=O)c1nc(C=O)sc1C |
| Synonyms | ethyl 2-formyl-5-methylthiazole-4-carboxylate,
1282549-65-8,
SCHEMBL10320770,
MFCD24387282,
ZINC143037458,
CS-0036937,
Ethyl 2-formyl-5-methyl-1,3-thiazole-4-carboxylate,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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