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| IUPAC Name: | 3-phenylprop-2-ynoic acid |
| Description: | Phenylpropiolic acid (CAS# 637-44-5) is used as a reagent in the high yield synthesis of 3,3-diphenylpropanoic acid derivatives via hydrophenylation and ionic hydrogenation with strong Lewis acids. It is also used in the synthesis of highly substituted aromatic rings via the alkyne-mediated approach which serve as templates for drug design. |
| Molecular Weight: | 146.14 |
| Molecular Formula: | C9H6O2 |
| Canonical SMILES: | C1=CC=C(C=C1)C#CC(=O)O |
| InChI: | InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) |
| InChI Key: | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| Boiling Point: | 302.6 °C at 760 mmHg |
| Melting Point: | 136 - 139 °C |
| Purity: | 97 % |
| Density: | 1.24 g/cm3 |
| Appearance: | White to slightly beige fine crystalline powder |
| MDL: | MFCD00004361 |
| LogP: | 1.12270 |
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