3,5-Dimethyl-4-(hydroxymethyl)isoxazole
(3,5-dimethyl-1,2-oxazol-4-yl)methanol
Also Known As: (3,5-Dimethyl-4-isoxazolyl)methanol|(3,5-dimethylisoxazol-4-yl)methanol|4-Isoxazolemethanol, 3,5-dimethyl-|(3,5-dimethyl-1,2-oxazol-4-yl)methanol|(dimethyl-1,2-oxazol-4-yl)methanol|3,5-dimethyl-4-hydroxymethylisoxazole|4-Isoxazolemethanol,5-dimethyl-|(3,5-Dimethyl-isoxazol-4-yl)-methanol|3,5-Dimethyl-4-isoxazolemethanol|3,5-dimethylisoxazole-4-methanol|3,5-Dimethyl-4-(hydroxymethyl)isoxazole|Fr13983|4-Isoxazolemethanol,3,5-dimethyl-|3,5-dimethyl-4-hydroxymethyl-isoxazole|KS-000008X3|(3,5-Dimethyl-4-isoxazolyl)methanol #|(3,5-dimethylisoxazol-4-yl)methan-1-ol
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06333 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.06333 |
| Monoisotopic Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 1985-81-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CO |
| InChIKey | JISPGFYJPXGNBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-(hydroxymethyl)isoxazole (CAS 1985-81-5), with molecular formula C6H9NO2 and molecular weight 127.06333 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methanol.