1.02010-04-08 22:14:56 UTC2015-07-21 06:44:18 UTCFDB0202951,4-Benzodioxin-2(3H)-onePatented as food aroma and flavour enhancerC8H6O3150.1314150.0316940582,3-dihydro-1,4-benzodioxin-2-one3H-1,4-benzodioxin-2-oneO=C1COC2=CC=CC=C2O1InChI=1S/C8H6O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2ULEKGOXADQVOIF-UHFFFAOYSA-N belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.Benzo-1,4-dioxanesOrganic compoundsOrganoheterocyclic compoundsBenzodioxanesBenzo-1,4-dioxanesAromatic heteropolycyclic compoundsAlkyl aryl ethersBenzenoidsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsPara dioxinsAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzo-1,4-dioxaneCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEtherHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclePara-dioxinlogp1.12logs-1.03solubility1.41e+01 g/lmelting_pointMp 55°logp1.12pka_strongest_basic-5iupac2,3-dihydro-1,4-benzodioxin-2-oneaverage_mass150.1314mono_mass150.031694058smilesO=C1COC2=CC=CC=C2O1formulaC8H6O3inchiInChI=1S/C8H6O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2inchikeyULEKGOXADQVOIF-UHFFFAOYSA-Npolar_surface_area35.53refractivity37.09polarizability14.02rotatable_bond_count0acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr8991Specdb::MsIr8992Specdb::CMs16525Specdb::CMs137971Specdb::CMs145705Specdb::NmrOneD41102Specdb::NmrOneD41103Specdb::NmrOneD41104Specdb::NmrOneD41105Specdb::NmrOneD41106Specdb::NmrOneD41107Specdb::NmrOneD41108Specdb::NmrOneD41109Specdb::NmrOneD41110Specdb::NmrOneD41111Specdb::NmrOneD41112Specdb::NmrOneD41113Specdb::NmrOneD41114Specdb::NmrOneD41115Specdb::NmrOneD41116Specdb::NmrOneD41117Specdb::NmrOneD41118Specdb::NmrOneD41119Specdb::NmrOneD41120Specdb::NmrOneD41121Specdb::MsMs302524Specdb::MsMs302525Specdb::MsMs302526Specdb::MsMs345274Specdb::MsMs345275Specdb::MsMs345276Specdb::MsMs2717292Specdb::MsMs2717293Specdb::MsMs2717294Specdb::MsMs2961678Specdb::MsMs2961679Specdb::MsMs2961680HMDB40528#<Reference:0x00005556756dd280>