| CAS Number | 13054-62-1 |
| Catalog Number | AG00HS44 |
| Chemical Name | 3,5-Dimethyl-4-isoxazolol |
| IUPAC Name | 3,5-dimethyl-1,2-oxazol-4-ol |
| InChI | InChI=1S/C5H7NO2/c1-3-5(7)4(2)8-6-3/h7H,1-2H3 |
| InChI Key | WESPSRWVKAUXKP-UHFFFAOYSA-N |
| MDL Number | MFCD00971938 |
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.1146 |
| SMILES | CC1C(O)=C(C)ON=1 |
| Synonyms | 13054-62-1,
3,5-Dimethylisoxazol-4-ol,
dimethyl-1,2-oxazol-4-ol,
3,5-dimethyl-isoxazol-4-ol,
3,5-Dimethyl-4-isoxazolol,
SCHEMBL2617349,
ZINC88315357,
|
| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.116g/mol |
| Monoisotopic Mass | 113.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number