1.02010-04-08 22:08:21 UTC2020-04-21 18:02:13 UTCFDB008969Anisic acidP-anisic acid, also known as 4-methoxybenzoic acid or anisate, 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. P-anisic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). P-anisic acid can be synthesized from benzoic acid. P-anisic acid can also be synthesized into methyl p-anisate. P-anisic acid is a faint, sweet, and cadaverous tasting compound found in anise, cocoa bean, fennel, and german camomile, which makes P-anisic acid a potential biomarker for the consumption of these food products. P-anisic acid can be found primarily in feces. P-anisic acid exists in all eukaryotes, ranging from yeast to humans.C8H8O3152.1473152.0473441224-methoxybenzoic acidP-anisic acid1335-08-6COC1=CC=C(C=C1)C(O)=OInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)ZEYHEAKUIGZSGI-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 acidsHydrocarbon derivativesMethoxybenzenesMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzoic acidBenzoylCarboxylic acidCarboxylic acid derivativeEtherHydrocarbon derivativeMethoxybenzeneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-methoxybenzoic acid or derivativesPhenol etherPhenoxy compoundmethoxybenzoic acidlogp1.63logs-1.88solubility2.00e+00 g/lmelting_point185 oClogp1.47pka_strongest_acidic4.37pka_strongest_basic-4.8iupac4-methoxybenzoic acidaverage_mass152.1473mono_mass152.047344122smilesCOC1=CC=C(C=C1)C(O)=OformulaC8H8O3inchiInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)inchikeyZEYHEAKUIGZSGI-UHFFFAOYSA-Npolar_surface_area46.53refractivity39.78polarizability14.99rotatable_bond_count2acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::NmrTwoD1584Specdb::MsIr1071Specdb::MsIr1072Specdb::MsIr1073Specdb::CMs2671Specdb::CMs29593Specdb::CMs29833Specdb::CMs32307Specdb::CMs37926Specdb::CMs99649Specdb::CMs99650Specdb::CMs99651Specdb::CMs158968Specdb::NmrOneD1643Specdb::NmrOneD8602Specdb::NmrOneD8603Specdb::NmrOneD8604Specdb::NmrOneD8605Specdb::NmrOneD8606Specdb::NmrOneD8607Specdb::NmrOneD8608Specdb::NmrOneD8609Specdb::NmrOneD8610Specdb::NmrOneD8611Specdb::NmrOneD8612Specdb::NmrOneD8613Specdb::NmrOneD8614Specdb::NmrOneD8615Specdb::NmrOneD8616Specdb::NmrOneD8617Specdb::NmrOneD8618Specdb::NmrOneD8619Specdb::NmrOneD8620Specdb::NmrOneD8621Specdb::MsMs1421Specdb::MsMs1422Specdb::MsMs1423Specdb::MsMs5041Specdb::MsMs5042Specdb::MsMs5043Specdb::MsMs5044Specdb::MsMs5045Specdb::MsMs5046Specdb::MsMs178647Specdb::MsMs178648Specdb::MsMs178649Specdb::MsMs180966Specdb::MsMs180967Specdb::MsMs180968Specdb::MsMs437279Specdb::MsMs437280Specdb::MsMs437281Specdb::MsMs437282Specdb::MsMs437283Specdb::MsMs2238352Specdb::MsMs2239211Specdb::MsMs2763325Specdb::MsMs2763326Specdb::MsMs2763327AnatidaeType 1specificAnatidae8830AniseType 1specificPimpinella anisum271192BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984FennelType 1specificFoeniculum vulgare48038Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TarragonType 1specificArtemisia dracunculus723414.44.44.4mg/100 gTurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823anti bacterial145A substance that kills or slows the growth of bacteria.anti rheumatic585Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti salmonella591A substance that kills or slows the growth of bacteria.anti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.tyrosinase inhibitor1389Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.