1.0 2010-04-08 22:07:43 UTC 2025-11-18 23:05:11 UTC FDB007656 Chelidonic acid Chelidonic acid, also known as 4-oxo-4h-pyran-2,6-dicarboxylic acid or chelidonate, belongs to pyranones and derivatives class of compounds. Those are compounds containing a pyran ring which bears a ketone. Chelidonic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Chelidonic acid can be found in corn, which makes chelidonic acid a potential biomarker for the consumption of this food product. Chelidonic acid is a heterocyclic organic acid with a pyran skeleton . C7H4O6 184.1031 184.00078786 4-oxo-4H-pyran-2,6-dicarboxylic acid compound XI* 99-32-1 OC(=O)C1=CC(=O)C=C(O1)C(O)=O InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12) PBAYDYUZOSNJGU-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Carboxylic acids Cyclic ketones Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carboxylic acid Carboxylic acid derivative Cyclic ketone Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyranone Monocyclic gamma-pyrones carbonyl compound pyrans logp 0.30 ALOGPS logs -1.24 ALOGPS solubility 1.06e+01 g/l ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 1.85 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 4-oxo-4H-pyran-2,6-dicarboxylic acid ChemAxon average_mass 184.1031 ChemAxon mono_mass 184.00078786 ChemAxon smiles OC(=O)C1=CC(=O)C=C(O1)C(O)=O ChemAxon formula C7H4O6 ChemAxon inchi InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12) ChemAxon inchikey PBAYDYUZOSNJGU-UHFFFAOYSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 40.55 ChemAxon polarizability 14.95 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 107577 Specdb::CMs 119971 Specdb::CMs 861067 Specdb::CMs 861068 Specdb::CMs 861069 Specdb::CMs 861070 Specdb::MsMs 58035 Specdb::MsMs 58036 Specdb::MsMs 58037 Specdb::MsMs 113874 Specdb::MsMs 113875 Specdb::MsMs 113876 Specdb::MsMs 2234827 Specdb::MsMs 3422570 Specdb::MsMs 3422571 Specdb::MsMs 3422572 Specdb::MsMs 3422573 Specdb::MsMs 3422574 Specdb::MsMs 3422575 Corn Type 1 specific Zea mays 4577 Anti-wart 692 Irritant 1055