![1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one](https://resource.bocsci.com/structure/63106-93-4.gif)
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| Related CAS: | 96847-75-5 (Deleted CAS) |
| IUPAC Name: | 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one |
| Description: | 1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one is an intermediate in the synthesis of Milnacipran, which is a serotonin-norepinephrine reuptake inhibitor (SNRI) used in the clinical treatment of fibromyalgia. |
| Molecular Weight: | 174.20 |
| Molecular Formula: | C11H10O2 |
| Canonical SMILES: | C1C2C1(C(=O)OC2)C3=CC=CC=C3 |
| InChI: | InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChI Key: | WZGFIZUMKYUMRN-UHFFFAOYSA-N |
| Boiling Point: | 119°C at 0.1 Torr |
| Melting Point: | 49-50°C |
| Purity: | ≥95% |
| Density: | 1.300±0.06 g/cm3 (Predicted) |
| Solubility: | Soluble in Chloroform (Sparingly), Methanol (Slightly) |
| Appearance: | White to off-white solid |
| Storage: | Store at 2-8°C under inert atmosphere |
| LogP: | 1.50110 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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