1.0 2026-09-22 03:33:15 UTC 2026-09-22 03:33:15 UTC FDB117624 ISOPHTHALIC ACID benzene-1,3-dicarboxylic acid isophthalic acid C8H6O4 166.132 166.026608673 benzene-1,3-dicarboxylic acid isophthalic acid OC(=O)C1=CC(=CC=C1)C(O)=O InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) QQVIHTHCMHWDBS-UHFFFAOYSA-N belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2. M-phthalic acid and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoic acids Benzoyl derivatives Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Meta_phthalic_acid Organic oxide Organic oxygen compound Organooxygen compound benzenedicarboxylic acid logp 1.04 ALOGPS logs -1.82 ALOGPS solubility 2.49e+00 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 3.55 ChemAxon iupac benzene-1,3-dicarboxylic acid ChemAxon average_mass 166.132 ChemAxon mono_mass 166.026608673 ChemAxon smiles OC(=O)C1=CC(=CC=C1)C(O)=O ChemAxon formula C8H6O4 ChemAxon inchi InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) ChemAxon inchikey QQVIHTHCMHWDBS-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 40.57 ChemAxon polarizability 15.13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74925 Specdb::MsMs 74926 Specdb::MsMs 74927 Specdb::MsMs 134451 Specdb::MsMs 134452 Specdb::MsMs 134453