1.0 2010-04-08 22:06:09 UTC 2025-11-18 22:55:36 UTC FDB004235 Methoxymalic acid Methoxymalic acid, also known as methoxymalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Methoxymalic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Methoxymalic acid can be found in oat, which makes methoxymalic acid a potential biomarker for the consumption of this food product. C5H6O5 146.098 146.021523293 (2E)-2-methoxybut-2-enedioic acid (2E)-2-methoxybut-2-enedioic acid [H]\C(C(O)=O)=C(/OC)C(O)=O InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ AHJCDQGRYVBQQZ-NSCUHMNNSA-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 acids Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Vinylogous esters Aliphatic acyclic compound Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Vinylogous ester logp 0.03 ALOGPS logs -0.53 ALOGPS solubility 4.27e+01 g/l ALOGPS logp -0.45 ChemAxon pka_strongest_acidic -5.4 ChemAxon pka_strongest_basic 2.06 ChemAxon iupac (2E)-2-methoxybut-2-enedioic acid ChemAxon average_mass 146.098 ChemAxon mono_mass 146.021523293 ChemAxon smiles [H]\C(C(O)=O)=C(/OC)C(O)=O ChemAxon formula C5H6O5 ChemAxon inchi InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ ChemAxon inchikey AHJCDQGRYVBQQZ-NSCUHMNNSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 31.33 ChemAxon polarizability 12.02 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82641 Specdb::MsMs 82642 Specdb::MsMs 82643 Specdb::MsMs 144075 Specdb::MsMs 144076 Specdb::MsMs 144077 Specdb::MsMs 3600173 Specdb::MsMs 3600174 Specdb::MsMs 3600175 Specdb::MsMs 3600176 Specdb::MsMs 3600177 Specdb::MsMs 3600178 Oat Type 1 specific Avena sativa 4498