1.0 2010-04-08 22:09:21 UTC 2019-11-26 03:04:16 UTC FDB010901 3-(2-Furanyl)-2-propenal Present in rum and coffee. Flavouring ingredient. 3-(2-Furanyl)-2-propenal is found in alcoholic beverages and coffee and coffee products. (2E)-3-(2-Furyl)-2-propenal (2E)-3-(2-furyl)acrylaldehyde (2E)-3-(furan-2-yl)prop-2-enal &alpha;-furyl)propenal &beta;-2-Furylacrolein 2-Furanacrolein 2-Propenal, 3-(2-furanyl)- 3-(&alpha;-Furyl)propenal 3-(2-Furyl)-2-propen-1-al 3-(2-Furyl)-2-propenal 3-(2-Furyl)acrolein 3-(2-Furyl)acrylaldehyde 3-(alpha -Furyl)propenal 3-(alpha-Furyl)propenal 3-2-Furyl alpha -Furyl)propenal beta -2-Furylacrolein beta-2-Furylacrolein FEMA 2494 Furan acrolein Furfurylideneacetaldehyde Furyl acrolein trans-3-(2-Furyl)acrolein C7H6O2 122.1213 122.036779436 (2Z)-3-(furan-2-yl)prop-2-enal (2Z)-3-(furan-2-yl)prop-2-enal 623-30-3 O=C\C=C/C1=CC=CO1 InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1- VZIRCHXYMBFNFD-IWQZZHSRSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Aldehydes Enals Furans Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aldehyde Alpha,beta-unsaturated aldehyde Aromatic heteromonocyclic compound Carbonyl group Enal Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.17 ALOGPS logs -1.29 ALOGPS solubility 6.30e+00 g/l ALOGPS melting_point 54 oC logp 1.04 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2Z)-3-(furan-2-yl)prop-2-enal ChemAxon average_mass 122.1213 ChemAxon mono_mass 122.036779436 ChemAxon smiles O=C\C=C/C1=CC=CO1 ChemAxon formula C7H6O2 ChemAxon inchi InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1- ChemAxon inchikey VZIRCHXYMBFNFD-IWQZZHSRSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 34.53 ChemAxon polarizability 12.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5786 Specdb::MsIr 5787 Specdb::CMs 15589 Specdb::CMs 131391 Specdb::CMs 139125 Specdb::MsMs 300553 Specdb::MsMs 300554 Specdb::MsMs 300555 Specdb::MsMs 342838 Specdb::MsMs 342839 Specdb::MsMs 342840 Specdb::MsMs 2273478 Specdb::MsMs 2273479 Specdb::MsMs 2273480 Specdb::MsMs 3069363 Specdb::MsMs 3069364 Specdb::MsMs 3069365 Specdb::NmrOneD 116598 Specdb::NmrOneD 116599 Specdb::NmrOneD 116600 Specdb::NmrOneD 116601 Specdb::NmrOneD 116602 Specdb::NmrOneD 116603 Specdb::NmrOneD 116604 Specdb::NmrOneD 116605 Specdb::NmrOneD 116606 Specdb::NmrOneD 116607 Specdb::NmrOneD 116608 Specdb::NmrOneD 116609 Specdb::NmrOneD 116610 Specdb::NmrOneD 116611 Specdb::NmrOneD 116612 Specdb::NmrOneD 116613 Specdb::NmrOneD 116614 Specdb::NmrOneD 116615 Specdb::NmrOneD 116616 Specdb::NmrOneD 116617 HMDB32918 #<Reference:0x000055ce3247bb88> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 cinnamon fruity grassy green nutty spicy vanilla woody