| CAS Number | 947145-27-9 |
| Catalog Number | AG01ALGL |
| Chemical Name | 4-Ethyl-1,3-oxazole-5-carboxylic acid |
| IUPAC Name | 4-ethyl-1,3-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C6H7NO3/c1-2-4-5(6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9) |
| InChI Key | BWAIQFNTWYCLSR-UHFFFAOYSA-N |
| MDL Number | MFCD19231787 |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.1247 |
| SMILES | CCC1=C(C(O)=O)OC=N1 |
| Synonyms | 4-ETHYL-1,3-OXAZOLE-5-CARBOXYLIC ACID,
947145-27-9,
SCHEMBL2570641,
BWAIQFNTWYCLSR-UHFFFAOYSA-N,
4-Ethyl-oxazole-5-carboxylic acid,
5-Oxazolecarboxylic acid, 4-ethyl-,
MFCD19231787,
ZINC77260281,
AKOS006385254,
4-Ethyl-1,3-oxazol-5-carboxylic acid,
FT-0703502,
Z2510259461,
4-ethyl-5-Oxazolecarboxylic acid,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.126g/mol |
| Monoisotopic Mass | 141.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number