| CAS Number | 58752-01-5 |
| Catalog Number | AG00ET56(AGN-PC-0N30VE) |
| Chemical Name | 1-(3-Methylisoxazol-4-yl)ethanone |
| IUPAC Name | 1-(3-methyl-1,2-oxazol-4-yl)ethanone |
| InChI | InChI=1S/C6H7NO2/c1-4-6(5(2)8)3-9-7-4/h3H,1-2H3 |
| InChI Key | YYKKQMMAXAOXCI-UHFFFAOYSA-N |
| MDL Number | MFCD18449664 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | CC(C1C(C)=NOC=1)=O |
| Synonyms | 58752-01-5,
1-(3-methylisoxazol-4-yl)ethanone,
1-(3-methyl-1,2-oxazol-4-yl)ethan-1-one,
3-methyl-4-acetylisoxazole,
4-Acetyl-3-methylisoxazole,
Ethanone, 1-(3-methyl-4-isoxazolyl)- (9CI),
SCHEMBL10085693,
CTK8J4775,
YYKKQMMAXAOXCI-UHFFFAOYSA-N,
1-(3-methyl-4-isoxazolyl)ethanone,
ZINC38582198,
1-(3-methyl-isoxazol-4-yl)-ethanone,
AKOS022902704,
DA-42021,
FT-0766614,
Z2467454559,
CID10351698,
1-(3-methyl-1,2-oxazol-4-yl)ethanone,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number