Showing Metabocard for 2-acetylphloroglucinol (BASm0004578)
| Common Name | 2-acetylphloroglucinol |
|---|---|
| Description | 2',4',6'-Trihydroxyacetophenone is found in fruits. 2',4',6'-Trihydroxyacetophenone is isolated from bark of Prunus domestica (plum |
| Structure | |
| Molecular Formula | C8H8O4 |
| Average Mass | 168.14670 |
| Monoisotopic Mass | 168.04226 |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)ethan-1-one |
| Traditional Name | 2,4,6-trihydroxyacetophenone |
| CAS Registry Number | 480-66-0 |
| SMILES | CC(=O)c1c(O)cc(O)cc1O |
| InChI Identifier | InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3 |
| InChI Key | XLEYFDVVXLMULC-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:64344 |
| HMDB ID | HMDB0029644 |
| State | Not Available |
| Water Solubility | 6.56e+00 g/l |
| logP | 0.84 |
| logS | -1.41 |
| pKa (Strongest Acidic) | 8.03 |
| pKa (Strongest Basic) | -3.61 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 77.76 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 42.40 m³·mol⁻¹ |
| Polarizability | 15.71 |