Showing Metabocard for 4-hydroxybenzoate (BASm0001110)
| Common Name | 4-hydroxybenzoate |
|---|---|
| Description | 4-hydroxybenzoate, also known as 4-hydroxybenzoic acid, dilithium salt or para-hydroxybenzoic acid, is a member of the class of compounds known as benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. 4-hydroxybenzoate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxybenzoate can be found in a number of food items such as fennel, silver linden, cucurbita (gourd), and chinese cabbage, which makes 4-hydroxybenzoate a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C7H5O3 |
| Average Mass | 137.11280 |
| Monoisotopic Mass | 137.02387 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])c1ccc(O)cc1 |
| InChI Identifier | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1 |
| InChI Key | FJKROLUGYXJWQN-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:17879 |
| HMDB ID | HMDB0304180 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |