| CAS Number | 603999-23-1 |
| Catalog Number | AG01B7NT(AGN-PC-01W2NY) |
| Chemical Name | 2-(1,3-Dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H7NO4S/c9-6(10)4-3-8-5(13-4)7-11-1-2-12-7/h3,7H,1-2H2,(H,9,10) |
| InChI Key | YDRYBXHGSZTEQJ-UHFFFAOYSA-N |
| MDL Number | MFCD14708139 |
| Molecular Formula | C7H7NO4S |
| Molecular Weight | 201.1998 |
| SMILES | O1C(OCC1)C=1SC(=CN1)C(=O)O |
| Synonyms | 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid,
603999-23-1,
SCHEMBL2406553,
YDRYBXHGSZTEQJ-UHFFFAOYSA-N,
AKOS026743751,
ZINC118826418,
FT-0751243,
2-(1,3-dioxolan-2-yl)thiazole-5-carboxylic acid,
Z1973466024,
2-(1,3-dioxolan-2-yl)-5-Thiazolecarboxylic acid,
|
| Complexity | 207 |
| 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 | 2 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number