1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:21 UTC FDB010942 2-O-p-Coumaroyltartronic acid Constituent of Vigna radiata (mung bean). 2-O-p-Coumaroyltartronic acid is found in pulses. 2-O-p-Coumaroyltartronic acid C12H10O7 266.2036 266.042652674 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid 95519-23-6 OC(=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O InChI=1S/C12H10O7/c13-8-4-1-7(2-5-8)3-6-9(14)19-10(11(15)16)12(17)18/h1-6,10,13H,(H,15,16)(H,17,18)/b6-3+ RWROLZXFRYSDLG-ZZXKWVIFSA-N belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. Coumaric acid esters 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 Carboxylic acids Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Styrenes Tricarboxylic acids and derivatives 1,3-dicarbonyl compound 1-hydroxy-2-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric 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 1.78 ALOGPS logs -3.11 ALOGPS solubility 2.04e-01 g/l ALOGPS logp 1.68 ChemAxon pka_strongest_acidic 2.3 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid ChemAxon average_mass 266.2036 ChemAxon mono_mass 266.042652674 ChemAxon smiles OC(=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O ChemAxon formula C12H10O7 ChemAxon inchi InChI=1S/C12H10O7/c13-8-4-1-7(2-5-8)3-6-9(14)19-10(11(15)16)12(17)18/h1-6,10,13H,(H,15,16)(H,17,18)/b6-3+ ChemAxon inchikey RWROLZXFRYSDLG-ZZXKWVIFSA-N ChemAxon polar_surface_area 121.13 ChemAxon refractivity 61.87 ChemAxon polarizability 24.38 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13215 Specdb::CMs 43029 Specdb::CMs 175223 Specdb::MsMs 63693 Specdb::MsMs 63694 Specdb::MsMs 63695 Specdb::MsMs 120678 Specdb::MsMs 120679 Specdb::MsMs 120680 Specdb::MsMs 2310147 Specdb::MsMs 2310148 Specdb::MsMs 2310149 Specdb::MsMs 2655467 Specdb::MsMs 2655468 Specdb::MsMs 2655469 HMDB32956 #<Reference:0x0000561272926960> Pulses Unknown generic