1.0 2010-04-08 22:09:55 UTC 2019-11-26 03:05:51 UTC FDB011976 3-(3,4-Methylenedioxyphenyl)propenal Isolated from Sassafras albidum (sassafras). 3-(3,4-Methylenedioxyphenyl)propenal is found in tea and herbs and spices. 3-(1,3-Benzodioxol-5-yl)-2-propenal, 9CI 3-(1,3-Benzodioxol-5-yl)acrylaldehyde 3-(3,4-Methylenedioxyphenyl)acrolein 3,4-Methylenedioxycinnamaldehyde 3,4-Methylenedioxycinnamaldehyde, 8CI Piperonylacrolein Piperonylideneacetaldehyde C10H8O3 176.1687 176.047344122 (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enal (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enal 14756-00-4 O=C\C=C/C1=CC2=C(OCO2)C=C1 InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1- HZUFMSJUNLSDSZ-UPHRSURJSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Aldehydes Enals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Styrenes Acetal Aldehyde Alpha,beta-unsaturated aldehyde Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Styrene logp 1.79 ALOGPS logs -2.56 ALOGPS solubility 4.84e-01 g/l ALOGPS melting_point Mp 84-85° logp 1.6 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enal ChemAxon average_mass 176.1687 ChemAxon mono_mass 176.047344122 ChemAxon smiles O=C\C=C/C1=CC2=C(OCO2)C=C1 ChemAxon formula C10H8O3 ChemAxon inchi InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1- ChemAxon inchikey HZUFMSJUNLSDSZ-UPHRSURJSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 47.9 ChemAxon polarizability 17.66 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6278 Specdb::MsIr 6279 Specdb::MsMs 64131 Specdb::MsMs 64132 Specdb::MsMs 64133 Specdb::MsMs 121197 Specdb::MsMs 121198 Specdb::MsMs 121199 Specdb::MsMs 2290833 Specdb::MsMs 2290834 Specdb::MsMs 2290835 Specdb::MsMs 2644695 Specdb::MsMs 2644696 Specdb::MsMs 2644697 Specdb::CMs 13534 Specdb::CMs 136230 Specdb::CMs 143964 HMDB33813 #<Reference:0x000055ce321fe180> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442