| CAS Number | 1909319-49-8 |
| Catalog Number | AG01C4HM |
| Chemical Name | 5-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C11H15NO6/c1-11(2,3)18-8(13)5-16-4-7-9(10(14)15)12-6-17-7/h6H,4-5H2,1-3H3,(H,14,15) |
| InChI Key | MPLXSVONYWBLOO-UHFFFAOYSA-N |
| MDL Number | MFCD29906891 |
| Molecular Formula | C11H15NO6 |
| Molecular Weight | 257.2399 |
| SMILES | CC(OC(COCC1=C(C(O)=O)N=CO1)=O)(C)C |
| Synonyms | 5-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-1,3-oxazole-4-carboxylic acid,
1909319-49-8,
AKOS033920483,
ZINC334163841,
Z2467523270,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.242g/mol |
| Monoisotopic Mass | 257.09g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number