1.02010-04-08 22:05:29 UTC2020-02-24 19:10:56 UTCFDB0026993-(2,3-Dihydroxyphenyl)-2-propenoic acid(2e)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid, also known as trans-2,3-dihydroxycinnamate or (2e)-3-(2,3-dihydroxyphenyl)acrylate, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated (2e)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). (2e)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid exists in all living organisms, ranging from bacteria to humans.2,3-Dihydroxycinnamic acidAnthenobilic acidC9H8O4180.1574180.0422587443-(2,3-dihydroxyphenyl)prop-2-enoic acid2,3-dihydroxycinnamic acid31082-90-3OC(=O)C=CC1=C(O)C(O)=CC=C1InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)SIUKXCMDYPYCLH-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated.Hydroxycinnamic acidsOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesHydroxycinnamic acids and derivativesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsCarbonyl compoundsCarboxylic acidsCatecholsCinnamic acidsCoumaric acids and derivativesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesStyrenes1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acidCarboxylic acid derivativeCatecholCinnamic acidCoumaric acid or derivativesHydrocarbon derivativeHydroxycinnamic acidMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolStyrenehydroxycinnamic acidlogp1.66logs-2.04solubility1.66e+00 g/llogp1.53pka_strongest_acidic3.87pka_strongest_basic-6.3iupac3-(2,3-dihydroxyphenyl)prop-2-enoic acidaverage_mass180.1574mono_mass180.042258744smilesOC(=O)C=CC1=C(O)C(O)=CC=C1formulaC9H8O4inchiInChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)inchikeySIUKXCMDYPYCLH-UHFFFAOYSA-Npolar_surface_area77.76refractivity47.02polarizability17.21rotatable_bond_count2acceptor_count4donor_count3physiological_charge-1formal_charge0Specdb::CMs9502Specdb::CMs42726Specdb::CMs152380Specdb::NmrOneD310251Specdb::NmrOneD310252Specdb::NmrOneD310253Specdb::NmrOneD310254Specdb::NmrOneD310255Specdb::NmrOneD310256Specdb::NmrOneD310257Specdb::NmrOneD310258Specdb::NmrOneD310259Specdb::NmrOneD310260Specdb::NmrOneD310261Specdb::NmrOneD310262Specdb::NmrOneD310263Specdb::NmrOneD310264Specdb::NmrOneD310265Specdb::NmrOneD310266Specdb::NmrOneD310267Specdb::NmrOneD310268Specdb::NmrOneD310269Specdb::NmrOneD310270Specdb::MsMs34790Specdb::MsMs34791Specdb::MsMs34792Specdb::MsMs2357718Specdb::MsMs2357719Specdb::MsMs2357720Specdb::MsMs28232Specdb::MsMs28233Specdb::MsMs28234Specdb::MsMs2603963Specdb::MsMs2603964Specdb::MsMs2603965Roman camomileType 1specificChamaemelum nobile99037