1.0 2010-04-08 22:09:27 UTC 2019-11-26 03:04:33 UTC FDB011091 Apional Constituent of parsley (Petroselinum hortense). Apional is found in herbs and spices. 2,5-Dimethoxy-3,4-methylenedioxycinnamaldehyde 3-(2,5-Dimethoxy-3,4-methylenedioxyphenyl)-2-propenal C12H12O5 236.2207 236.068473494 (2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal (2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal COC1=C2OCOC2=C(OC)C(\C=C\C=O)=C1 InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10(15-2)12-11(9)16-7-17-12/h3-6H,7H2,1-2H3/b4-3+ WTHYSOXPCHPBOG-ONEGZZNKSA-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 Alkyl aryl ethers Anisoles Enals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Styrenes Acetal Aldehyde Alkyl aryl ether Alpha,beta-unsaturated aldehyde Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Enal Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Styrene logp 1.69 ALOGPS logs -2.68 ALOGPS solubility 4.94e-01 g/l ALOGPS melting_point Mp 99° logp 1.29 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal ChemAxon average_mass 236.2207 ChemAxon mono_mass 236.068473494 ChemAxon smiles COC1=C2OCOC2=C(OC)C(\C=C\C=O)=C1 ChemAxon formula C12H12O5 ChemAxon inchi InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10(15-2)12-11(9)16-7-17-12/h3-6H,7H2,1-2H3/b4-3+ ChemAxon inchikey WTHYSOXPCHPBOG-ONEGZZNKSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 60.83 ChemAxon polarizability 23.57 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21948 Specdb::CMs 163898 Specdb::MsMs 69510 Specdb::MsMs 69511 Specdb::MsMs 69512 Specdb::MsMs 127809 Specdb::MsMs 127810 Specdb::MsMs 127811 Specdb::MsMs 2288655 Specdb::MsMs 2288656 Specdb::MsMs 2288657 Specdb::MsMs 2647581 Specdb::MsMs 2647582 Specdb::MsMs 2647583 HMDB33096 #<Reference:0x000055ce3196bd38> Herbs and Spices Unknown generic