1.02010-04-08 22:04:46 UTC2020-04-21 18:02:08 UTCFDB0009512-Furancarboxylic acidIsolated from roots of Phaseolus vulgaris (kidney bean)
Furoic acid is a metabolite that appears in the urine of workers occupationally exposed to furfural and is marker of exposure to this compound. Furfural is a heterocyclic aldehyde that is commonly used as a solvent in industry. It is readily absorbed into the body via the lungs and has significant skin absorption. Furfural is an irritant of the eyes, mucous membranes, and skin and is a central nervous system depressant. Furfural as a confirmed animal carcinogen with unknown relevance to humans (It has been suggested that is a substance that produces hepatic cirrhosis). Once in the body, furfural is metabolized rapidly via oxidation to the metabolite furoic acid, which is then conjugated with glycine and excreted in the urine in both free and conjugated forms. (PMID: 3751566, 4630229, 12587683). Furoic acid is a biomarker for the consumption of beer.α-furancarboxylic acidα-furoic acid2-Carboxyfuran2-furancarboxilic acid2-Furancarboxylate2-Furanoate2-Furanoic acid2-Furoate2-Furoic acid2-Furoic acid [per EINECS]2-Furoic acid, 8CI2-FUROIC ACID, PRACTA-furancarboxylateA-furancarboxylic acidA-furoatea-Furoic acidAcide 2-furoiqueAcido 2-furoicoAlpha-furancarboxylateAlpha-furancarboxylic acidAlpha-furoateAlpha-furoic acidB-furancarboxylateB-furancarboxylic acidB-furoateB-furoic acidBeta-furancarboxylateBeta-furancarboxylic acidBeta-furoateBeta-furoic acidFOAFuran-2-carbonsaeureFuran-2-carboxylic acidFurancarboxylateFurancarboxylic acidFurancarboxylic acid-(2)FuroateFuroic acidFuroicaPyromucatePyromucic acidα-furancarboxylateα-furancarboxylic acidα-furoateα-furoic acidC5H4O3112.0835112.016043994furan-2-carboxylic acidfuroic acid88-14-2OC(=O)C1=CC=CO1InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)SMNDYUVBFMFKNZ-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.Furoic acidsOrganic compoundsOrganoheterocyclic compoundsFuransFuroic acid and derivativesAromatic heteromonocyclic compoundsCarboxylic acidsHeteroaromatic compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsAromatic heteromonocyclic compoundCarboxylic acidCarboxylic acid derivativeFuroic acidHeteroaromatic compoundHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclefuroic acidSolidlogp0.98ALOGPSlogs-0.62ALOGPSsolubility2.71e+01 g/lALOGPSmelting_pointMp 133-134°logp0.69ChemAxonpka_strongest_acidic-6.5ChemAxonpka_strongest_basic6.41ChemAxoniupacfuran-2-carboxylic acidChemAxonaverage_mass112.0835ChemAxonmono_mass112.016043994ChemAxonsmilesOC(=O)C1=CC=CO1ChemAxonformulaC5H4O3ChemAxoninchiInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)ChemAxoninchikeySMNDYUVBFMFKNZ-UHFFFAOYSA-NChemAxonpolar_surface_area50.44ChemAxonrefractivity25.71ChemAxonpolarizability9.8ChemAxonrotatable_bond_count1ChemAxonacceptor_count2ChemAxondonor_count1ChemAxonphysiological_charge-1ChemAxonformal_charge0ChemAxonSpecdb::NmrTwoD1382Specdb::MsIr670Specdb::MsIr671Specdb::MsIr672Specdb::NmrOneD1437Specdb::NmrOneD7202Specdb::NmrOneD7203Specdb::NmrOneD7204Specdb::NmrOneD7205Specdb::NmrOneD7206Specdb::NmrOneD7207Specdb::NmrOneD7208Specdb::NmrOneD7209Specdb::NmrOneD7210Specdb::NmrOneD7211Specdb::NmrOneD7212Specdb::NmrOneD7213Specdb::NmrOneD7214Specdb::NmrOneD7215Specdb::NmrOneD7216Specdb::NmrOneD7217Specdb::NmrOneD7218Specdb::NmrOneD7219Specdb::NmrOneD7220Specdb::NmrOneD7221Specdb::MsMs831Specdb::MsMs832Specdb::MsMs833Specdb::MsMs4224Specdb::MsMs4225Specdb::MsMs4226Specdb::MsMs4227Specdb::MsMs4228Specdb::MsMs290500Specdb::MsMs290501Specdb::MsMs290502Specdb::MsMs330193Specdb::MsMs330194Specdb::MsMs330195Specdb::MsMs437642Specdb::MsMs437643Specdb::MsMs437644Specdb::MsMs437645Specdb::MsMs437646Specdb::MsMs1473300Specdb::MsMs1473301Specdb::MsMs1473302Specdb::MsMs1473303Specdb::MsMs1473304Specdb::MsMs1473305Specdb::CMs931Specdb::CMs11113Specdb::CMs31171Specdb::CMs31816Specdb::CMs37650Specdb::CMs161274Specdb::CMs1070162HMDB0061716739FOA#<Reference:0x000055ce305befd8>#<Reference:0x000055ce305bee20>#<Reference:0x000055ce305bec68>#<Reference:0x000055ce305beab0>#<Reference:0x000055ce305be8f8>#<Reference:0x000055ce305be740>#<Reference:0x000055ce305be588>AnatidaeType 1specificAnatidae8830BeefaloType 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 1specificOryctolagus9984Green beanType 1specificPhaseolus vulgaris3885Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054PulsesUnknowngenericQuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Yellow wax beanType 1specificPhaseolus vulgaris3885odorless