| CAS Number | 87967-94-0 |
| Catalog Number | AG004E8A(AGN-PC-00LBJJ) |
| Chemical Name | 5-Ethyl-3-methylisoxazole-4-carbaldehyde |
| IUPAC Name | 5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde |
| InChI | InChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)8-10-7/h4H,3H2,1-2H3 |
| InChI Key | FXXQAJPVKTYGTO-UHFFFAOYSA-N |
| MDL Number | MFCD24681586 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | CCC1=C(C=O)C(C)=NO1 |
| Synonyms | 87967-94-0,
4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-,
5-ethyl-3-methylisoxazole-4-carbaldehyde,
CTK3C0614,
DTXSID50525258,
5-Ethyl-3-methyl-1,2-oxazole-4-carbaldehyde,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number