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| IUPAC Name: | (E)-hex-2-enoic acid |
| Description: | trans-2-Hexenoic acid (CAS# 13419-69-7) is used in the synthesis of antitumor dehydroepiandrosteronederivatives. Also used in the synthesis of phosphatase 1B inhibitors. |
| Molecular Weight: | 114.14 |
| Molecular Formula: | C6H10O2 |
| Canonical SMILES: | CCCC=CC(=O)O |
| InChI: | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+ |
| InChI Key: | NIONDZDPPYHYKY-SNAWJCMRSA-N |
| Boiling Point: | 216.50 °C (EPI 4.0) |
| Melting Point: | 28.00 to 34.00 °C at 760.00 mm Hg |
| Purity: | 98.0 % |
| Density: | 0.985 g/cm3 |
| Solubility: | Slightly soluble in water. |
| Appearance: | White crystalline solid |
| Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
| MDL: | MFCD00002705 |
| LogP: | 1.42730 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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