| CAS Number | 68104-03-0 |
| Catalog Number | AG019NX9(AGN-PC-0WO8CK) |
| Chemical Name | 2-(4-Methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid |
| IUPAC Name | 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid |
| InChI | InChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9) |
| InChI Key | RUXSNFPDNUJKLO-UHFFFAOYSA-N |
| MDL Number | MFCD06380390 |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.1897 |
| SMILES | CC1N(CC(O)=O)C(=O)SC=1 |
| Synonyms | 2-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid,
68104-03-0,
(4-methyl-2-oxo-1,3-thiazol-3(2H)-yl)acetic acid,
AC1Q2OMF,
AC1M7IS6,
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic Acid,
CTK7J4890,
HMS1731F19,
ZINC3351156,
AKOS008031186,
MCULE-3215469378,
NE38579,
EN300-12067,
CID2468238,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.186g/mol |
| Monoisotopic Mass | 173.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number