| CAS Number | 54258-26-3 |
| Catalog Number | AG01AMR1(AGN-PC-0NI1OM) |
| Chemical Name | 1-(3-Methoxy-1,2-oxazol-5-yl)ethan-1-one |
| IUPAC Name | 1-(3-methoxy-1,2-oxazol-5-yl)ethanone |
| InChI | InChI=1S/C6H7NO3/c1-4(8)5-3-6(9-2)7-10-5/h3H,1-2H3 |
| InChI Key | MULBTORUXNWBGZ-UHFFFAOYSA-N |
| MDL Number | MFCD22070926 |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.1247 |
| SMILES | COC1=NOC(C(C)=O)=C1 |
| Synonyms | 1-(3-methoxy-1,2-oxazol-5-yl)ethan-1-one,
54258-26-3,
3-methoxy-5-acetylisoxazole,
SCHEMBL2759528,
ZINC38885515,
AKOS022718374,
1-(3-METHOXYISOXAZOL-5-YL)ETHAN-1-ONE,
Z2218586032,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.126g/mol |
| Monoisotopic Mass | 141.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number