| CAS Number | 1797797-59-1 |
| Catalog Number | AG01AFSF(AGN-PC-0WO6Y3) |
| Chemical Name | methyl 3-(5-hydroxy-3-methyl-1,2-oxazol-4-yl)propanoate |
| IUPAC Name | methyl 3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)propanoate |
| InChI | InChI=1S/C8H11NO4/c1-5-6(8(11)13-9-5)3-4-7(10)12-2/h9H,3-4H2,1-2H3 |
| InChI Key | HFCKRMCAMCALNK-UHFFFAOYSA-N |
| MDL Number | MFCD27959364 |
| Molecular Formula | C8H11NO4 |
| Molecular Weight | 185.1772 |
| SMILES | COC(CCC1=C(O)ON=C1C)=O |
| Synonyms | methyl 3-(5-hydroxy-3-methyl-1,2-oxazol-4-yl)propanoate,
1797797-59-1,
ZINC95942457,
AKOS026728362,
MCULE-8666128152,
NE47192,
Z1770192837,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.179g/mol |
| Monoisotopic Mass | 185.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number