| CAS Number | 1538088-91-3 |
| Catalog Number | AG01DVKK |
| Chemical Name | 4-propyl-1,3-oxazole-5-carboxylic acid |
| IUPAC Name | 4-propyl-1,3-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C7H9NO3/c1-2-3-5-6(7(9)10)11-4-8-5/h4H,2-3H2,1H3,(H,9,10) |
| InChI Key | OUXAWCOOLDPRQK-UHFFFAOYSA-N |
| MDL Number | MFCD26599014 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | CCCC1=C(C(O)=O)OC=N1 |
| Synonyms | 4-propyl-1,3-oxazole-5-carboxylic acid,
1538088-91-3,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number