| CAS Number | 1357247-55-2 |
| Catalog Number | AG01B7Y2 |
| Chemical Name | 2-(Ethoxycarbonyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-3-4(13-5)6(9)10/h3H,2H2,1H3,(H,9,10) |
| InChI Key | QJFUSYNFWLGJIO-UHFFFAOYSA-N |
| MDL Number | MFCD24502480 |
| Molecular Formula | C7H7NO4S |
| Molecular Weight | 201.1998 |
| SMILES | CCOC(C1SC(C(O)=O)=CN=1)=O |
| Synonyms | 1357247-55-2,
2-(ethoxycarbonyl)-1,3-thiazole-5-carboxylic acid,
2-(ethoxycarbonyl)thiazole-5-carboxylic acid,
SCHEMBL528192,
QJFUSYNFWLGJIO-UHFFFAOYSA-N,
ZINC114031524,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.196g/mol |
| Monoisotopic Mass | 201.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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