3,5,5-Trimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrazol-3-yl benzoate
(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate
Also Known As: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate|3,5,5-Trimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrazol-3-yl benzoate|3H-Pyrazol-3-ol,4,5-dihydro-3,5,5-trimethyl-, 3-benzoate, 1-oxide|3H-Pyrazol-3-ol,4,5-dihydro-3,5,5-trimethyl-,benzoate (ester),1-oxide (9CI)
CAS: 65441-83-0
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.11609 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Monoisotopic Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 65441-83-0 |
|---|---|
| SMILES | CC1(CC(N=[N+]1[O-])(C)OC(=O)C2=CC=CC=C2)C |
| InChIKey | UUWGGTKQWYTOGN-UHFFFAOYSA-N |
Product Overview
3,5,5-Trimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrazol-3-yl benzoate (CAS 65441-83-0), with molecular formula C13H16N2O3 and molecular weight 248.11609 g/mol. IUPAC: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) benzoate.
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.
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3,5,5-Trimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrazol-3-yl benzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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