1.02010-04-08 22:09:57 UTC2018-05-28 23:33:18 UTCFDB0120163,4-Dimethoxy-1,2-benzenedicarboxylic acidIsolated from poppy straw (Papaver somniferum).1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-3,4-Dimethoxy-1,2-benzenedicarboxylic acid3,4-Dimethoxyphthalic acidHemipic acidHemipinic acidC10H10O6226.1828226.0477380523,4-dimethoxybenzene-1,2-dicarboxylic acid3,4-dimethoxybenzene-1,2-dicarboxylic acid518-90-1COC1=C(OC)C(C(O)=O)=C(C=C1)C(O)=OInChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)QSWJYWSRUJSAFH-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 acidsDicarboxylic acids and derivativesDimethoxybenzenesHydrocarbon derivativesM-methoxybenzoic acids and derivativesO-methoxybenzoic acids and derivativesOrganic oxidesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzoic acidBenzoylCarboxylic acidCarboxylic acid derivativeDicarboxylic acid or derivativesDimethoxybenzeneEtherHydrocarbon derivativeM-methoxybenzoic acid or derivativesMethoxybenzeneO-dimethoxybenzeneO-methoxybenzoic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-methoxybenzoic acid or derivativesPhenol etherPhenoxy compoundlogp1.15logs-2.14solubility1.65e+00 g/lmelting_pointMp 181°logp0.97pka_strongest_acidic2.55pka_strongest_basic-4.6iupac3,4-dimethoxybenzene-1,2-dicarboxylic acidaverage_mass226.1828mono_mass226.047738052smilesCOC1=C(OC)C(C(O)=O)=C(C=C1)C(O)=OformulaC10H10O6inchiInChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)inchikeyQSWJYWSRUJSAFH-UHFFFAOYSA-Npolar_surface_area93.06refractivity53.5polarizability20.72rotatable_bond_count4acceptor_count6donor_count2physiological_charge-2formal_charge0Specdb::CMs25356Specdb::CMs43534Specdb::CMs158506Specdb::MsMs57336Specdb::MsMs57337Specdb::MsMs57338Specdb::MsMs112986Specdb::MsMs112987Specdb::MsMs112988Specdb::MsMs2720892Specdb::MsMs2720893Specdb::MsMs2720894Specdb::MsMs2958480Specdb::MsMs2958481Specdb::MsMs2958482HMDB33842#<Reference:0x000055567350cdb8>