Showing Metabocard for (4-hydroxyphenyl)acetaldehyde (BASm0000386)
| Common Name | (4-hydroxyphenyl)acetaldehyde |
|---|---|
| Description | 4-Hydroxyphenylacetaldehyde is a byproduct of tyrosine metabolism. |
| Structure | |
| Molecular Formula | C8H8O2 |
| Average Mass | 136.14790 |
| Monoisotopic Mass | 136.05243 |
| IUPAC Name | 2-(4-hydroxyphenyl)acetaldehyde |
| Traditional Name | 2-(4-hydroxyphenyl)acetaldehyde |
| CAS Registry Number | 7339-87-9 |
| SMILES | O=CCc1ccc(O)cc1 |
| InChI Identifier | InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2 |
| InChI Key | IPRPPFIAVHPVJH-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:15621 |
| HMDB ID | HMDB0003767 |
| State | Solid |
| Water Solubility | 5.93e+00 g/l |
| logP | 1.59 |
| logS | -1.36 |
| pKa (Strongest Acidic) | 9.50 |
| pKa (Strongest Basic) | -5.96 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 38.42 m³·mol⁻¹ |
| Polarizability | 13.88 |