| CAS Number | 1016703-94-8 |
| Catalog Number | AG01BTUS |
| Chemical Name | 2-(2-cyclopropyl-1,3-thiazol-4-yl)acetic acid |
| IUPAC Name | 2-(2-cyclopropyl-1,3-thiazol-4-yl)acetic acid |
| InChI | InChI=1S/C8H9NO2S/c10-7(11)3-6-4-12-8(9-6)5-1-2-5/h4-5H,1-3H2,(H,10,11) |
| InChI Key | IQEZNAHGWNRZSJ-UHFFFAOYSA-N |
| MDL Number | MFCD09808948 |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.2276 |
| SMILES | OC(CC1N=C(C2CC2)SC=1)=O |
| Synonyms | 2-(2-CYCLOPROPYL-1,3-THIAZOL-4-YL)ACETIC ACID,
1016703-94-8,
CTK7J2489,
ZINC19408311,
AKOS000165987,
Z2756841904,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.225g/mol |
| Monoisotopic Mass | 183.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number