| CAS Number | 107575-76-8 |
| Catalog Number | AG01CABM(AGN-PC-0OXETR) |
| Chemical Name | methyl 2-(3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-yl)acetate |
| IUPAC Name | methyl 2-(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)acetate |
| InChI | InChI=1S/C7H9NO4/c1-4-5(3-6(9)11-2)7(10)12-8-4/h5H,3H2,1-2H3 |
| InChI Key | KBUJRRZBNQZSCU-UHFFFAOYSA-N |
| MDL Number | MFCD14653399 |
| Molecular Formula | C7H9NO4 |
| Molecular Weight | 171.1507 |
| SMILES | COC(CC1C(=O)ON=C1C)=O |
| Synonyms | methyl 2-(3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-yl)acetate,
107575-76-8,
AKOS010639329,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.152g/mol |
| Monoisotopic Mass | 171.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number