| CAS Number | 954230-95-6 |
| Catalog Number | AG01A207(AGN-PC-0WO1KL) |
| Chemical Name | 5-(thiophen-2-yl)-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H5NO3S/c10-8(11)5-4-9-12-7(5)6-2-1-3-13-6/h1-4H,(H,10,11) |
| InChI Key | ASSDHSCKHFBLII-UHFFFAOYSA-N |
| MDL Number | MFCD09756465 |
| Molecular Formula | C8H5NO3S |
| Molecular Weight | 195.1952 |
| SMILES | OC(C1=C(C2SC=CC=2)ON=C1)=O |
| Synonyms | 5-(thiophen-2-yl)-1,2-oxazole-4-carboxylic acid,
954230-95-6,
ZINC39956282,
AKOS006326931,
MCULE-9551499287,
NE27039,
Z1495385254,
5-thiophen-2-ylisoxazole-4-carboxylic acid,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.192g/mol |
| Monoisotopic Mass | 194.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number