| CAS Number | 33656-63-2 |
| Catalog Number | AG00CM0N(AGN-PC-0R96MC) |
| Chemical Name | Ethyl 2-oxo-2-(thiazol-2-yl)acetate |
| IUPAC Name | ethyl 2-oxo-2-(1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C7H7NO3S/c1-2-11-7(10)5(9)6-8-3-4-12-6/h3-4H,2H2,1H3 |
| InChI Key | BCUHSFBUCDQHII-UHFFFAOYSA-N |
| MDL Number | MFCD08689464 |
| Molecular Formula | C7H7NO3S |
| Molecular Weight | 185.2004 |
| SMILES | CCOC(C(C1SC=CN=1)=O)=O |
| Synonyms | Ethyl 2-oxo-2-(thiazol-2-yl)acetate,
33656-63-2,
ethyl 2-oxo-2-(1,3-thiazol-2-yl)acetate,
Ethyl oxo-thiazol-2-ylacetate,
SCHEMBL3219037,
DTXSID40716759,
BCUHSFBUCDQHII-UHFFFAOYSA-N,
ZINC40448990,
Ethyl oxo(1,3-thiazol-2-yl)acetate,
AKOS005264101,
RP03378,
AJ-103139,
AX8222289,
Y8767,
J-520783,
C7H7NO3S,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.197g/mol |
| Monoisotopic Mass | 185.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number