| CAS Number | 77876-64-3 |
| Catalog Number | AG01DWO1 |
| Chemical Name | 3-(Dimethyl-1,3-oxazol-2-yl)propanoic acid |
| IUPAC Name | 3-(4,5-dimethyl-1,3-oxazol-2-yl)propanoic acid |
| InChI | InChI=1S/C8H11NO3/c1-5-6(2)12-7(9-5)3-4-8(10)11/h3-4H2,1-2H3,(H,10,11) |
| InChI Key | PBXLBXUVCNXYHX-UHFFFAOYSA-N |
| MDL Number | MFCD11590643 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | CC1=C(C)OC(CCC(O)=O)=N1 |
| Synonyms | 3-(dimethyl-1,3-oxazol-2-yl)propanoic acid,
77876-64-3,
AKOS006318872,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number