1.0 2026-09-22 08:20:47 UTC 2026-09-22 08:20:47 UTC FDB117956 2-carboxymethyl-3-hexylmaleic acid anhydride 2-(4-hexyl-2,5-dioxo-3-furyl)acetic acid 2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid C12H16O5 240.255 240.099773615 2-(4-hexyl-2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid (4-hexyl-2,5-dioxofuran-3-yl)acetic acid CCCCCCC1=C(CC(O)=O)C(=O)OC1=O InChI=1S/C12H16O5/c1-2-3-4-5-6-8-9(7-10(13)14)12(16)17-11(8)15/h2-7H2,1H3,(H,13,14) UMHSTRUKUXAWBA-UHFFFAOYSA-N 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 Aliphatic heteromonocyclic compounds Butenolides Carbonyl compounds Carboxylic acid anhydrides Carboxylic acids Hydrocarbon derivatives Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid anhydride Dihydrofuran Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tricarboxylic acid or derivatives cyclic dicarboxylic anhydride dioxo monocarboxylic acid furans logp 2.38 ALOGPS logs -2.90 ALOGPS solubility 3.05e-01 g/l ALOGPS logp 2.7 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 2-(4-hexyl-2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid ChemAxon average_mass 240.255 ChemAxon mono_mass 240.099773615 ChemAxon smiles CCCCCCC1=C(CC(O)=O)C(=O)OC1=O ChemAxon formula C12H16O5 ChemAxon inchi InChI=1S/C12H16O5/c1-2-3-4-5-6-8-9(7-10(13)14)12(16)17-11(8)15/h2-7H2,1H3,(H,13,14) ChemAxon inchikey UMHSTRUKUXAWBA-UHFFFAOYSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 59.39 ChemAxon polarizability 24.59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon