Showing Metabocard for 3-(4-hydroxyphenyl)pyruvate (BASm0001978)
| Common Name | 3-(4-hydroxyphenyl)pyruvate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C9H7O4 |
| Average Mass | 179.14950 |
| Monoisotopic Mass | 179.03443 |
| IUPAC Name | 3-(4-hydroxyphenyl)-2-oxopropanoic acid |
| Traditional Name | 3-(4-hydroxyphenyl)-2-oxopropanoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C(=O)Cc1ccc(O)cc1 |
| InChI Identifier | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1 |
| InChI Key | KKADPXVIOXHVKN-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:36242 |
| MiMeDB ID | MMDBc0054212 |
| State | Expected Solid |
| Water Solubility | 1.49e+00 g/l |
| logP | 1.12 |
| logS | -2.08 |
| pKa (Strongest Acidic) | 2.91 |
| pKa (Strongest Basic) | -5.96 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 74.6 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 44.69 m³·mol⁻¹ |
| Polarizability | 16.75 |