1.0 2016-05-19 03:05:13 UTC 2026-05-14 18:56:13 UTC 2,6-Naphthalenedicarboxylic acid SmallMolecule 2,6-Naphthalenedicarboxylic acid (C12H8O4) is an organic compound with an average molecular weight of 216.19 g/mol. 2,6-Naphthalenedicarboxylic acid belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. This compound is classified as a benzenoid. The substance is used in the production of plastics, specifically in Polyamide and Polyethylene Terephthalate. It is found in or released from 29 recorded sources. These include building and construction materials such as tents, canopies, and ceilings. In the category of electrical and electronic equipment, it is associated with antennas, coils, cores yokes or armatures, discharge lamps, and auxiliary devices, among 14 other sources. Household cleaning and consumer products containing the compound include soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. Additionally, it is linked to food processing and cookware, specifically processing meats and fermentation processes for beer. In terms of biological activity, 2,6-Naphthalenedicarboxylic acid has two recorded protein targets. It acts as an inhibitor of Hemoglobin subunit beta (HBB) and Hemoglobin subunit alpha (HBA1). C12H8O4 216.1895 216.042258744 naphthalene-2,6-dicarboxylic acid 2,6-naphthalic acid 1141-38-4 OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) RXOHFPCZGPKIRD-UHFFFAOYSA-N Organic compounds Benzenoids Naphthalenes Naphthalenecarboxylic acids and derivatives Naphthalenecarboxylic acids Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds 2-naphthalenecarboxylic acid Aromatic homopolycyclic compound Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aromatic homopolycyclic compounds dicarboxylic acid Detected and Not Quantified logp 2.28 logp 2.17 ALOGPS logs -3.35 ALOGPS solubility 9.60e-02 g/l ALOGPS logp 2.28 ChemAxon pka_strongest_acidic 3.69 ChemAxon iupac naphthalene-2,6-dicarboxylic acid ChemAxon average_mass 216.1895 ChemAxon mono_mass 216.042258744 ChemAxon smiles OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O ChemAxon formula C12H8O4 ChemAxon inchi InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) ChemAxon inchikey RXOHFPCZGPKIRD-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 57.02 ChemAxon polarizability 21.24 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224405dd8> DB08262 14357 13718 BE0000130 BE0000629