1.02010-04-08 22:08:07 UTC2015-07-20 22:23:08 UTCFDB0085283-Propylidene-1(3H)-isobenzofuranoneFlavouring ingredient(3E)-3-propylidene-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-propylidene-3-Propylidene-phthalide3-PropylidenephthalideFEMA 2952IsopropylidenephthalidePhthalide, 3-propylidene (6CI,8CI)Phthalide, 3-propylidene-Propylidene phthalidePropylidenephthalideC11H10O2174.1959174.068079564(3E)-3-propylidene-1,3-dihydro-2-benzofuran-1-one(3E)-3-propylidene-2-benzofuran-1-one17369-59-4CC\C=C1\OC(=O)C2=CC=CC=C12InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+NGSZDVVHIGAMOJ-BJMVGYQFSA-N belongs to the class of organic compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.IsobenzofuranonesOrganic compoundsOrganoheterocyclic compoundsIsocoumaransIsobenzofuranonesAromatic heteropolycyclic compoundsBenzenoidsEnol estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsAromatic heteropolycyclic compoundBenzenoidCarboxylic acid derivativeCarboxylic acid esterEnol esterHydrocarbon derivativeIsobenzofuranoneLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclelogp2.96logs-2.86solubility2.42e-01 g/llogp2.58pka_strongest_basic-7.1iupac(3E)-3-propylidene-1,3-dihydro-2-benzofuran-1-oneaverage_mass174.1959mono_mass174.068079564smilesCC\C=C1\OC(=O)C2=CC=CC=C12formulaC11H10O2inchiInChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+inchikeyNGSZDVVHIGAMOJ-BJMVGYQFSA-Npolar_surface_area26.3refractivity51.68polarizability18.66rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4941Specdb::MsIr4942Specdb::CMs9340Specdb::CMs164019Specdb::MsMs100074Specdb::MsMs100075Specdb::MsMs100076Specdb::MsMs165309Specdb::MsMs165310Specdb::MsMs165311Specdb::MsMs2455348Specdb::MsMs2455349Specdb::MsMs2455350Specdb::MsMs2479813Specdb::MsMs2479814Specdb::MsMs2479815HMDB31845#<Reference:0x0000555675b7fce8>celeryfenugreekmaple