| CAS Number | 926214-43-9 |
| Catalog Number | AG01AINH(AGN-PC-0WO1N4) |
| Chemical Name | 3-(4,5-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)propanoic acid |
| IUPAC Name | 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoic acid |
| InChI | InChI=1S/C8H11NO3S/c1-5-6(2)13-8(12)9(5)4-3-7(10)11/h3-4H2,1-2H3,(H,10,11) |
| InChI Key | LRVYRTVQFXRLMY-UHFFFAOYSA-N |
| MDL Number | MFCD09041361 |
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.2428 |
| SMILES | CC1=C(C)N(CCC(O)=O)C(=O)S1 |
| Synonyms | 3-(4,5-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)propanoic acid,
926214-43-9,
CTK6B3548,
ZINC21949219,
AKOS000123873,
MCULE-1202401693,
NE14132,
EN300-78460,
Z1238477803,
3-(4,5-DIMETHYL-2-OXO-1,3-THIAZOL-3(2H)-YL)PROPANOIC ACID,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.24g/mol |
| Monoisotopic Mass | 201.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number