1.0 2010-04-08 22:15:12 UTC 2019-11-26 03:19:19 UTC FDB020699 2-O-Caffeoyltartronic acid Constituent of Vigna radiata (mung bean). 2-O-Caffeoyltartronic acid is found in pulses. 2-O-Caffeoyltartronic acid C12H10O8 282.203 282.037567296 2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid 2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid 102606-75-7 OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O InChI=1S/C12H10O8/c13-7-3-1-6(5-8(7)14)2-4-9(15)20-10(11(16)17)12(18)19/h1-5,10,13-14H,(H,16,17)(H,18,19)/b4-2+ URLZWXXTZHVFBD-DUXPYHPUSA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carboxylic acids Catechols Cinnamic acid esters Enoate esters Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Styrenes Tricarboxylic acids and derivatives 1,3-dicarbonyl compound 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 derivative Carboxylic acid ester Catechol Cinnamic acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene Tricarboxylic acid or derivatives logp 1.87 ALOGPS logs -3.01 ALOGPS solubility 2.73e-01 g/l ALOGPS logp 1.38 ChemAxon pka_strongest_acidic 2.16 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid ChemAxon average_mass 282.203 ChemAxon mono_mass 282.037567296 ChemAxon smiles OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O ChemAxon formula C12H10O8 ChemAxon inchi InChI=1S/C12H10O8/c13-7-3-1-6(5-8(7)14)2-4-9(15)20-10(11(16)17)12(18)19/h1-5,10,13-14H,(H,16,17)(H,18,19)/b4-2+ ChemAxon inchikey URLZWXXTZHVFBD-DUXPYHPUSA-N ChemAxon polar_surface_area 141.36 ChemAxon refractivity 63.86 ChemAxon polarizability 25.26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9488 Specdb::CMs 47003 Specdb::CMs 174796 Specdb::MsMs 286930 Specdb::MsMs 286931 Specdb::MsMs 286932 Specdb::MsMs 325663 Specdb::MsMs 325664 Specdb::MsMs 325665 Specdb::MsMs 2804727 Specdb::MsMs 2804728 Specdb::MsMs 2804729 Specdb::MsMs 2874230 Specdb::MsMs 2874231 Specdb::MsMs 2874232 HMDB40869 #<Reference:0x000055ce318afde0> Pulses Unknown generic