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| IUPAC Name: | 4-oxopentanoic acid |
| Description: | Levulinic acid (CAS# 123-76-2) is derived from the degredation of cellulose and is a potential precursor to biofuels. Levulinic acid is also a photosensitizer for photodynamic therapy. |
| Molecular Weight: | 116.12 |
| Molecular Formula: | C5H8O3 |
| Canonical SMILES: | CC(=O)CCC(=O)O |
| InChI: | InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChI Key: | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Boiling Point: | 245-246 °C |
| Melting Point: | 33-35°C |
| Flash Point: | 137°C |
| Density: | 1.13 g/cm3 |
| Solubility: | water, 6.746e+005 mg/L @ 25 °C (est) |
| Appearance: | Clear yellowish liquid after melting |
| Storage: | Keep in dark place, Sealed in dry, Room Temperature |
| MDL: | MFCD00002796 |
| LogP: | 0.44020 |
| Refractive Index: | 1.4396-1.4426 |
| Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. May decompose when exposed to light. |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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