| CAS Number | 41172-61-6 |
| Catalog Number | AG01C3I5 |
| Chemical Name | 3-[4-(methoxycarbonyl)-1,3-oxazol-5-yl]propanoic acid |
| IUPAC Name | 3-(4-methoxycarbonyl-1,3-oxazol-5-yl)propanoic acid |
| InChI | InChI=1S/C8H9NO5/c1-13-8(12)7-5(14-4-9-7)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11) |
| InChI Key | NCCOWKVRSZTZNY-UHFFFAOYSA-N |
| MDL Number | MFCD20647855 |
| Molecular Formula | C8H9NO5 |
| Molecular Weight | 199.1608 |
| SMILES | COC(C1=C(CCC(O)=O)OC=N1)=O |
| Synonyms | 3-[4-(methoxycarbonyl)-1,3-oxazol-5-yl]propanoic acid,
41172-61-6,
AKOS033866493,
ZINC238365943,
Z2327883350,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.162g/mol |
| Monoisotopic Mass | 199.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number