| CAS Number | 923710-57-0 |
| Catalog Number | AG00GUG1 |
| Chemical Name | 5-ETHOXY-2-THIEN-2-YL-1,3-OXAZOLE-4-CARBOXYLIC ACID |
| IUPAC Name | 5-ethoxy-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H9NO4S/c1-2-14-10-7(9(12)13)11-8(15-10)6-4-3-5-16-6/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | QKPNHNBCKNWOFO-UHFFFAOYSA-N |
| MDL Number | MFCD08691313 |
| Molecular Formula | C10H9NO4S |
| Molecular Weight | 239.2478 |
| SMILES | O=C(C1=C(OCC)OC(C2=CC=CS2)=N1)O |
| Synonyms | 5-ethoxy-2-thien-2-yl-1,3-oxazole-4-carboxylic acid,
923710-57-0,
5-ethoxy-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid,
5-Ethoxy-2-(thiophen-2-yl)oxazole-4-carboxylic acid,
AC1Q35N3,
CTK6G3484,
ZINC9156374,
AKOS009107395,
MCULE-7417734139,
NE30136,
EN300-26382,
J-517466,
Z223639838,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.245g/mol |
| Monoisotopic Mass | 239.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number