1.0 2010-04-08 22:07:32 UTC 2025-11-18 23:04:32 UTC FDB007306 Oxalates Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2− 4, also written (COO)2− 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox . Ammonium oxalate Ethanedioic acid diammonium salt monohydrate C2H6N2O4 122.08 122.03275669 diazaniumyl oxalate diammonio oxalate 7647-14-5 [NH3+]OC(=O)C(=O)O[NH3+] InChI=1S/C2H6N2O4/c3-7-1(5)2(6)8-4/h3-4H3/q+2 VQVRXZJXTLRRKU-UHFFFAOYSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid salts Hydrocarbon derivatives Organic cations Organic nitrogen compounds Organic oxides Organic salts Aliphatic acyclic compound Carbonyl group Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organooxygen compound logp 0.45 ALOGPS logs -1.99 ALOGPS solubility 1.98e+00 g/l ALOGPS logp -0.55 ChemAxon pka_strongest_basic 2.42 ChemAxon iupac diazaniumyl oxalate ChemAxon average_mass 122.08 ChemAxon mono_mass 122.03275669 ChemAxon smiles [NH3+]OC(=O)C(=O)O[NH3+] ChemAxon formula C2H6N2O4 ChemAxon inchi InChI=1S/C2H6N2O4/c3-7-1(5)2(6)8-4/h3-4H3/q+2 ChemAxon inchikey VQVRXZJXTLRRKU-UHFFFAOYSA-N ChemAxon polar_surface_area 107.88 ChemAxon refractivity 43.61 ChemAxon polarizability 9.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 2 ChemAxon Specdb::MsMs 85968 Specdb::MsMs 85969 Specdb::MsMs 85970 Specdb::MsMs 148170 Specdb::MsMs 148171 Specdb::MsMs 148172 Cocoa bean Type 1 specific Theobroma cacao 3641 Purslane Type 1 specific Portulaca oleracea 46147