1.0 2010-04-08 22:10:01 UTC 2019-11-26 03:06:16 UTC FDB012145 D-Chicoric acid Isolated from chicory (Cichorium intybus) and Cichorium endivia (endive). D-Chicoric acid is found in green vegetables. C22H18O12 474.3711 474.07982604 2,3-bis({[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})butanedioic acid 2,3-bis({[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})butanedioic acid OC(=O)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3-,8-4- YDDGKXBLOXEEMN-VHOZIDCHSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carbonyl compounds Carboxylic acids Catechols Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid ester Catechol Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxycinnamic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene Tetracarboxylic acid or derivatives logp 3.48 ALOGPS logs -4.04 ALOGPS solubility 4.30e-02 g/l ALOGPS melting_point Mp 206° logp 3.02 ChemAxon pka_strongest_acidic 2.72 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2,3-bis({[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})butanedioic acid ChemAxon average_mass 474.3711 ChemAxon mono_mass 474.07982604 ChemAxon smiles OC(=O)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O ChemAxon formula C22H18O12 ChemAxon inchi InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3-,8-4- ChemAxon inchikey YDDGKXBLOXEEMN-VHOZIDCHSA-N ChemAxon polar_surface_area 208.12 ChemAxon refractivity 113.27 ChemAxon polarizability 41.97 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22710 Specdb::CMs 43595 Specdb::MsMs 45855 Specdb::MsMs 45856 Specdb::MsMs 45857 Specdb::MsMs 170310 Specdb::MsMs 170311 Specdb::MsMs 170312 HMDB33938 #<Reference:0x000055ce30364dc8> Green vegetables Unknown generic