| CAS Number | 544704-32-7 |
| Catalog Number | AG01BGN5(AGN-PC-0OC2B5) |
| Chemical Name | Ethyl 4-formyl-1,3-thiazole-5-carboxylate |
| IUPAC Name | ethyl 4-formyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C7H7NO3S/c1-2-11-7(10)6-5(3-9)8-4-12-6/h3-4H,2H2,1H3 |
| InChI Key | DEJTUYUMZSPGCM-UHFFFAOYSA-N |
| MDL Number | MFCD28139400 |
| Molecular Formula | C7H7NO3S |
| Molecular Weight | 185.2004 |
| SMILES | CCOC(C1=C(C=O)N=CS1)=O |
| Synonyms | ethyl 4-formyl-1,3-thiazole-5-carboxylate,
544704-32-7,
AKOS026744552,
ZINC216636583,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.197g/mol |
| Monoisotopic Mass | 185.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number