| Weight | 152.153 g/mol |
|---|---|
| Formula | C7H8N2O2 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 2 |
689251-97-6 (689251-97-6)
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SMILESCN1C=C(C=N1)C=CC(=O)O
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InChIKeyPTIQETSIDLDEMZ-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 256.98 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 297.63 C | EPI Suite |
| Density | 1.27 g/cm3 | EPA T.E.S.T. |
| Flash Point | 155.88 C | EPA T.E.S.T. |
| Melting Point | 96.91 C | EPI Suite |
| Water Solubility | 3602.47 mg/L | EPA T.E.S.T. |
| Water Solubility | 48638 mg/L | EPI Suite |
External Links
Synthesis
Reactant
+
dimethyl sulfide
(Corey-Kim oxidation of secondary alcohols)
Reactant
+
1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide
(Nicolaou IBX dehydrogenation)
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689251-97-6
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