5-Benzoyl-3-methylisoxazole
(3-methyl-1,2-oxazol-5-yl)-phenylmethanone
Also Known As: 5-benzoyl-3-methylisoxazole|3-methyl-5-benzoylisoxazole|Ketone,3-methyl-5-isoxazolyl phenyl|(3-methyl-1,2-oxazol-5-yl)-phenylmethanone|(3-methylisoxazol-5-yl)(phenyl)methanone|5-BENZOYL-3-METHYL-1,2-OXAZOLE|(3-Methyl-1,2-oxazol-5-yl)(phenyl)methanone|METHANONE,(3-METHYL-5-ISOXAZOLYL)PHENYL-
CAS: 31301-36-7
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06332 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Monoisotopic Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 31301-36-7 |
|---|---|
| SMILES | CC1=NOC(=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | JKEWPPCTIBKQGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Product Overview
5-Benzoyl-3-methylisoxazole (CAS 31301-36-7), with molecular formula C11H9NO2 and molecular weight 187.06332 g/mol. IUPAC: (3-methyl-1,2-oxazol-5-yl)-phenylmethanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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