1.0 2010-04-08 22:10:33 UTC 2019-11-26 03:08:02 UTC FDB013138 trans-p-Coumaroyltartaric acid Constituent of grapes and wines. trans-p-Coumaroyltartaric acid is found in alcoholic beverages, fruits, and common grape. trans-Coutaric acid trans-p-Coumaroyltartaric acid C14H14O8 310.2562 310.068867424 3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}pentanedioic acid 3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}pentanedioic acid 27174-06-7 OC(CC(O)=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O InChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+ WZHTXSWUIFRTCQ-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-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Secondary alcohols Styrenes Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Beta-hydroxy acid 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 Hydroxy acid Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Phenol Secondary alcohol Styrene Tricarboxylic acid or derivatives logp 1.33 ALOGPS logs -2.81 ALOGPS solubility 4.79e-01 g/l ALOGPS melting_point Mp 194-195° dec. logp 0.99 ChemAxon pka_strongest_acidic 3.15 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}pentanedioic acid ChemAxon average_mass 310.2562 ChemAxon mono_mass 310.068867424 ChemAxon smiles OC(CC(O)=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O ChemAxon formula C14H14O8 ChemAxon inchi InChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+ ChemAxon inchikey WZHTXSWUIFRTCQ-ZZXKWVIFSA-N ChemAxon polar_surface_area 141.36 ChemAxon refractivity 72.39 ChemAxon polarizability 28.78 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22945 Specdb::CMs 41546 Specdb::CMs 150242 Specdb::MsMs 77754 Specdb::MsMs 77755 Specdb::MsMs 77756 Specdb::MsMs 137949 Specdb::MsMs 137950 Specdb::MsMs 137951 Specdb::MsMs 2843882 Specdb::MsMs 2843883 Specdb::MsMs 2843884 Specdb::MsMs 2861626 Specdb::MsMs 2861627 Specdb::MsMs 2861628 HMDB29783 #<Reference:0x000055ce3025be40> Alcoholic beverages Unknown generic Common grape Type 1 specific Vitis vinifera 29760 Fruits Unknown generic Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g