| CAS Number | 1909309-55-2 |
| Catalog Number | AG01C25L |
| Chemical Name | 2-(2-Methyl-1,3-dioxolan-2-yl)thiazole-5-carboxylic acid |
| IUPAC Name | 2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H9NO4S/c1-8(12-2-3-13-8)7-9-4-5(14-7)6(10)11/h4H,2-3H2,1H3,(H,10,11) |
| InChI Key | JCQYKYMSPOLQOP-UHFFFAOYSA-N |
| MDL Number | MFCD29054920 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | CC1(OCCO1)C=1SC(=CN1)C(=O)O |
| Synonyms | 1909309-55-2,
2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid,
AKOS033859203,
ZINC299805325,
Z2301438521,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number