2,3-Dihydroxy-Benzoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

Salicylic acids

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzoic acids and derivatives

Calculated Property

kind Value Source
logP 1.42 ALOGPS
logS -1.4 ALOGPS
Water Solubility 6.88e+00 g/l ALOGPS
logP 1.67 ChemAxon
IUPAC Name 2,3-dihydroxybenzoic acid ChemAxon
Traditional IUPAC Name 2,3-dihydroxy-benzoic acid ChemAxon
Molecular Weight 154.1201 ChemAxon
Monoisotopic Weight 154.02660868 ChemAxon
SMILES OC(=O)C1=CC=CC(O)=C1O ChemAxon
Molecular Formula C7H6O4 ChemAxon
InChI InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) ChemAxon
InChIKey InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 77.76 ChemAxon
Refractivity 37.28 ChemAxon
Polarizability 13.7 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 2.56 ChemAxon
pKa (strongest basic) -6.3 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 2,3-dihydroxybenzoate-AMP ligase : in Bacillus subtilis (strain 168)
  • Neutrophil gelatinase-associated lipocalin : in Human