1.0 2010-04-08 22:08:07 UTC 2015-07-20 22:23:08 UTC FDB008528 3-Propylidene-1(3H)-isobenzofuranone Flavouring ingredient (3E)-3-propylidene-2-benzofuran-1(3H)-one 1(3H)-Isobenzofuranone, 3-propylidene- 3-Propylidene-phthalide 3-Propylidenephthalide FEMA 2952 Isopropylidenephthalide Phthalide, 3-propylidene (6CI,8CI) Phthalide, 3-propylidene- Propylidene phthalide Propylidenephthalide C11H10O2 174.1959 174.068079564 (3E)-3-propylidene-1,3-dihydro-2-benzofuran-1-one (3E)-3-propylidene-2-benzofuran-1-one 17369-59-4 CC\C=C1\OC(=O)C2=CC=CC=C12 InChI=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. Isobenzofuranones Organic compounds Organoheterocyclic compounds Isocoumarans Isobenzofuranones Aromatic heteropolycyclic compounds Benzenoids Enol esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Enol ester Hydrocarbon derivative Isobenzofuranone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 2.96 ALOGPS logs -2.86 ALOGPS solubility 2.42e-01 g/l ALOGPS logp 2.58 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (3E)-3-propylidene-1,3-dihydro-2-benzofuran-1-one ChemAxon average_mass 174.1959 ChemAxon mono_mass 174.068079564 ChemAxon smiles CC\C=C1\OC(=O)C2=CC=CC=C12 ChemAxon formula C11H10O2 ChemAxon inchi InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5+ ChemAxon inchikey NGSZDVVHIGAMOJ-BJMVGYQFSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.68 ChemAxon polarizability 18.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4941 Specdb::MsIr 4942 Specdb::MsMs 100074 Specdb::MsMs 100075 Specdb::MsMs 100076 Specdb::MsMs 165309 Specdb::MsMs 165310 Specdb::MsMs 165311 Specdb::MsMs 2455348 Specdb::MsMs 2455349 Specdb::MsMs 2455350 Specdb::MsMs 2479813 Specdb::MsMs 2479814 Specdb::MsMs 2479815 Specdb::CMs 9340 Specdb::CMs 164019 HMDB31845 #<Reference:0x000055ce32abcc40> celery fenugreek maple