1.0 2010-04-08 22:15:15 UTC 2018-05-29 01:48:05 UTC FDB020766 2-(2-Furanyl)-3-methyl-2-butenal Constituent of the oil of Papaver somniferum (opium poppy) a-(1-Methylethylidene)-2-furanacetaldehyde, 9CI a-Isopropylidene-2-furanacetaldehyde C9H10O2 150.1745 150.068079564 2-(furan-2-yl)-3-methylbut-2-enal 2-(furan-2-yl)-3-methylbut-2-enal 31681-28-4 CC(C)=C(C=O)C1=CC=CO1 InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3 JWRBBXQUYVJOLN-UHFFFAOYSA-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 2.02 ALOGPS logs -1.68 ALOGPS solubility 3.14e+00 g/l ALOGPS logp 1.73 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-(furan-2-yl)-3-methylbut-2-enal ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles CC(C)=C(C=O)C1=CC=CO1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3 ChemAxon inchikey JWRBBXQUYVJOLN-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 43.16 ChemAxon polarizability 15.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24057 Specdb::CMs 155946 Specdb::MsIr 9094 Specdb::MsIr 9095 Specdb::MsMs 9767 Specdb::MsMs 9768 Specdb::MsMs 9769 Specdb::MsMs 16439 Specdb::MsMs 16440 Specdb::MsMs 16441 Specdb::MsMs 2761555 Specdb::MsMs 2761556 Specdb::MsMs 2761557 Specdb::MsMs 2947266 Specdb::MsMs 2947267 Specdb::MsMs 2947268 Specdb::NmrOneD 44142 Specdb::NmrOneD 44143 Specdb::NmrOneD 44144 Specdb::NmrOneD 44145 Specdb::NmrOneD 44146 Specdb::NmrOneD 44147 Specdb::NmrOneD 44148 Specdb::NmrOneD 44149 Specdb::NmrOneD 44150 Specdb::NmrOneD 44151 Specdb::NmrOneD 44152 Specdb::NmrOneD 44153 Specdb::NmrOneD 44154 Specdb::NmrOneD 44155 Specdb::NmrOneD 44156 Specdb::NmrOneD 44157 Specdb::NmrOneD 44158 Specdb::NmrOneD 44159 Specdb::NmrOneD 44160 Specdb::NmrOneD 44161 HMDB40925 #<Reference:0x00007f093c0c2af0>