Showing entry for Hydroxybenzoic acid (p-)
Identification
- PhytoHub ID
- PHUB001202
- Name
- Hydroxybenzoic acid (p-)
- Synonyms
- 4-Hydroxybenzoic acid
- CAS Number
- Not Available
- Average Mass
- 138.122
- Monoisotopic Mass
- 138.031694053
- Chemical Formula
- C7H6O3
- IUPAC Name
- P-hydroxybenzoic acid
- InChI Key
- FJKROLUGYXJWQN-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
- SMILES
OC(=O)C1=CC=C(O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.19e+01 g/l
- LogS (ALOGPS)
- -1.06
- LogP (ALOGPS)
- 1.58
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 57.53
- Refractivity
- 35.2951
- Polarizability
- 12.939727468110942
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -6.063011046171021
- pKa (strongest acidic)
- 4.379964053135935
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Coumaric acid (p-) | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Show Precursor |
Ferulic acid | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Coumaric acid (p-) | Hydroxybenzoic acid (p-) | human | urine | C7H6O3 | 138.031694053 | Publications | ||
Ferulic acid | Hydroxybenzoic acid (p-) | human | plasma, urine | C7H6O3 | 138.031694053 | Publications |