Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Tricarboxylic acids and derivatives

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Tricarboxylic acids and derivatives

Calculated Property

kind Value Source
logP 0.87 ALOGPS
logS -2.4 ALOGPS
Water Solubility 8.37e-01 g/l ALOGPS
logP 0.95 ChemAxon
IUPAC Name benzene-1,3,5-tricarboxylic acid ChemAxon
Traditional IUPAC Name trimesic acid ChemAxon
Molecular Weight 210.1403 ChemAxon
Monoisotopic Weight 210.016437924 ChemAxon
SMILES OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O ChemAxon
Molecular Formula C9H6O6 ChemAxon
InChI InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) ChemAxon
Polar Surface Area (PSA) 111.9 ChemAxon
Refractivity 47.83 ChemAxon
Polarizability 18.34 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.14 ChemAxon
Physiological Charge -3 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Hemoglobin subunit alpha : in Human
  • Hemoglobin subunit beta : in Human