1.0 2010-04-08 22:15:01 UTC 2019-11-26 03:18:55 UTC FDB020430 3-(3-Furanyl)-2-methyl-2-propenal Constituent of the aroma of carob bean (Ceratonia siliqua). 3-(3-Furanyl)-2-methyl-2-propenal is found in pulses. a-Methyl-3-furanacrolein, 8CI C8H8O2 136.1479 136.0524295 (2Z)-3-(furan-3-yl)-2-methylprop-2-enal (2Z)-3-(furan-3-yl)-2-methylprop-2-enal 28043-36-9 C\C(C=O)=C\C1=COC=C1 InChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4- WHDVHEXMVPUJNI-DAXSKMNVSA-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 1.49 ALOGPS logs -1.50 ALOGPS solubility 4.30e+00 g/l ALOGPS melting_point Mp 41° logp 1.51 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (2Z)-3-(furan-3-yl)-2-methylprop-2-enal ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles C\C(C=O)=C\C1=COC=C1 ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c1-7(5-9)4-8-2-3-10-6-8/h2-6H,1H3/b7-4- ChemAxon inchikey WHDVHEXMVPUJNI-DAXSKMNVSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 39 ChemAxon polarizability 14 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15278 Specdb::CMs 172952 Specdb::NmrOneD 42482 Specdb::NmrOneD 42483 Specdb::NmrOneD 42484 Specdb::NmrOneD 42485 Specdb::NmrOneD 42486 Specdb::NmrOneD 42487 Specdb::NmrOneD 42488 Specdb::NmrOneD 42489 Specdb::NmrOneD 42490 Specdb::NmrOneD 42491 Specdb::NmrOneD 42492 Specdb::NmrOneD 42493 Specdb::NmrOneD 42494 Specdb::NmrOneD 42495 Specdb::NmrOneD 42496 Specdb::NmrOneD 42497 Specdb::NmrOneD 42498 Specdb::NmrOneD 42499 Specdb::NmrOneD 42500 Specdb::NmrOneD 42501 Specdb::MsIr 9053 Specdb::MsIr 9054 Specdb::MsMs 299896 Specdb::MsMs 299897 Specdb::MsMs 299898 Specdb::MsMs 342031 Specdb::MsMs 342032 Specdb::MsMs 342033 Specdb::MsMs 2705042 Specdb::MsMs 2705043 Specdb::MsMs 2705044 Specdb::MsMs 3004437 Specdb::MsMs 3004438 Specdb::MsMs 3004439 HMDB40638 #<Reference:0x000055ce2f696268> Pulses Unknown generic