Identification

PhytoHub ID
PHUB000293
Name
3,5-Dihydroxybenzoic acid
Synonyms
  • 5-Carboxyresorcinol
  • α-Resorcylic acid
CAS Number
Not Available
Average Mass
154.121
Monoisotopic Mass
154.026608673
Chemical Formula
C7H6O4
IUPAC Name
3,5-dihydroxybenzoic acid
InChI Key
UYEMGAFJOZZIFP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
SMILES
OC(=O)C1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.20e+01 g/l
LogS (ALOGPS)
-1.11
LogP (ALOGPS)
1.29
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
77.76
Refractivity
37.275999999999996
Polarizability
13.87553214865925
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.714022330881936
pKa (strongest acidic)
3.6141076332493496
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxybenzoic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

Back