1.0 2010-04-08 22:05:23 UTC 2020-02-24 19:10:31 UTC FDB002475 Dillapional Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. 2,3-Dimethoxy-4,5-methylenedioxycinnamaldehyde 3-(2,3-Dimethoxy-4,5-methylenedioxyphenyl)-2-propen-1-al C12H12O5 236.2207 236.068473494 (2Z)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal (2Z)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal 38971-74-3 COC1=C(OC)C(\C=C/C=O)=CC2=C1OCO2 InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3- UQBPCDWQJZVCPU-ARJAWSKDSA-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 4.96e-01 g/l ALOGPS melting_point Mp 101-102° logp 1.29 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2Z)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal ChemAxon average_mass 236.2207 ChemAxon mono_mass 236.068473494 ChemAxon smiles COC1=C(OC)C(\C=C/C=O)=CC2=C1OCO2 ChemAxon formula C12H12O5 ChemAxon inchi InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3- ChemAxon inchikey UQBPCDWQJZVCPU-ARJAWSKDSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 60.83 ChemAxon polarizability 23.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10680 Specdb::CMs 133439 Specdb::CMs 141173 Specdb::MsMs 61020 Specdb::MsMs 61021 Specdb::MsMs 61022 Specdb::MsMs 117474 Specdb::MsMs 117475 Specdb::MsMs 117476 Specdb::MsMs 2684481 Specdb::MsMs 2684482 Specdb::MsMs 2684483 Specdb::MsMs 3024309 Specdb::MsMs 3024310 Specdb::MsMs 3024311 HMDB30582 #<Reference:0x000055ce315d9dc8> Dill Type 1 specific Anethum graveolens 40922 Herbs and Spices Unknown generic