1.02010-04-08 22:04:29 UTC2019-11-26 02:54:34 UTCFDB0002223,4-Dimethoxybenzoic acid3,4-dimethoxybenzoic acid, also known as veratric acid or 3,4-dimethylprotocatechuic acid, belongs to P-methoxybenzoic acids and derivatives class of compounds. Those are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. 3,4-dimethoxybenzoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dimethoxybenzoic acid can be synthesized from benzoic acid. 3,4-dimethoxybenzoic acid is also a parent compound for other transformation products, including but not limited to, 3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one, 3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one, and 3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one. 3,4-dimethoxybenzoic acid can be found in coriander and olive, which makes 3,4-dimethoxybenzoic acid a potential biomarker for the consumption of these food products.3,4-Dimethoxy-benzoic acid3,4-Dimethylprotocatechuic acidBenzoic acid, 3,4-dimethoxy-Dimethylprotocatechuic acidVeratric acidVeratrumenoic acidVeratrylic acidC9H10O4182.1733182.0579088083,4-dimethoxybenzoic acidveratric acid93-07-2COC1=C(OC)C=C(C=C1)C(O)=OInChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)DAUAQNGYDSHRET-UHFFFAOYSA-N belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.P-methoxybenzoic acids and derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivativesAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesBenzoic acidsBenzoyl derivativesCarboxylic acidsDimethoxybenzenesHydrocarbon derivativesM-methoxybenzoic acids and derivativesMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzoic acidBenzoylCarboxylic acidCarboxylic acid derivativeDimethoxybenzeneEtherHydrocarbon derivativeM-methoxybenzoic acid or derivativesMethoxybenzeneMonocarboxylic acid or derivativesO-dimethoxybenzeneOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-methoxybenzoic acid or derivativesPhenol etherPhenoxy compoundbenzoic acidslogp1.52logs-2.04solubility1.64e+00 g/lmelting_point181 oClogp1.32pka_strongest_acidic4.14pka_strongest_basic-4.6iupac3,4-dimethoxybenzoic acidaverage_mass182.1733mono_mass182.057908808smilesCOC1=C(OC)C=C(C=C1)C(O)=OformulaC9H10O4inchiInChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)inchikeyDAUAQNGYDSHRET-UHFFFAOYSA-Npolar_surface_area55.76refractivity46.24polarizability17.92rotatable_bond_count3acceptor_count4donor_count1physiological_charge-1formal_charge0Specdb::MsIr9633Specdb::MsIr9634Specdb::MsIr9635Specdb::CMs5770Specdb::CMs28710Specdb::CMs29820Specdb::CMs47895Specdb::CMs102337Specdb::CMs102338Specdb::CMs132560Specdb::CMs140294Specdb::MsMs46383Specdb::MsMs46384Specdb::MsMs46385Specdb::MsMs124911Specdb::MsMs124912Specdb::MsMs124913Specdb::MsMs439758Specdb::MsMs439759Specdb::MsMs2438512Specdb::MsMs2438513Specdb::MsMs2438514Specdb::MsMs2523699Specdb::MsMs2523700Specdb::MsMs2523701CorianderType 1specificCoriandrum sativum4047OliveType 1specificOlea europaea4146