1.0 2010-04-08 22:09:27 UTC 2025-11-18 23:24:27 UTC FDB011086 (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid Constituent of olives (Olea europaea). (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is found in fats and oils, herbs and spices, and fruits. C9H12O5 200.1886 200.068473494 3-[(2Z)-1-oxobut-2-en-2-yl]pentanedioic acid 3-[(2Z)-1-oxobut-2-en-2-yl]pentanedioic acid C\C=C(/C=O)C(CC(O)=O)CC(O)=O InChI=1S/C9H12O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,5,7H,3-4H2,1H3,(H,11,12)(H,13,14)/b6-2+ IVZLDVMNNVAWDA-QHHAFSJGSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Aldehydes Branched fatty acids Carboxylic acids Dicarboxylic acids and derivatives Enals Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Enal Hydrocarbon derivative Medium-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 0.69 ALOGPS logs -1.84 ALOGPS solubility 2.91e+00 g/l ALOGPS logp 0.14 ChemAxon pka_strongest_acidic 3.84 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 3-[(2Z)-1-oxobut-2-en-2-yl]pentanedioic acid ChemAxon average_mass 200.1886 ChemAxon mono_mass 200.068473494 ChemAxon smiles C\C=C(/C=O)C(CC(O)=O)CC(O)=O ChemAxon formula C9H12O5 ChemAxon inchi InChI=1S/C9H12O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,5,7H,3-4H2,1H3,(H,11,12)(H,13,14)/b6-2+ ChemAxon inchikey IVZLDVMNNVAWDA-QHHAFSJGSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 48.08 ChemAxon polarizability 18.67 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5940 Specdb::MsIr 5941 Specdb::MsIr 5942 Specdb::CMs 21047 Specdb::CMs 43091 Specdb::CMs 172448 Specdb::MsMs 50175 Specdb::MsMs 50176 Specdb::MsMs 50177 Specdb::MsMs 143811 Specdb::MsMs 143812 Specdb::MsMs 143813 Specdb::MsMs 2308797 Specdb::MsMs 2308798 Specdb::MsMs 2308799 Specdb::MsMs 2654189 Specdb::MsMs 2654190 Specdb::MsMs 2654191 Specdb::NmrOneD 117838 Specdb::NmrOneD 117839 Specdb::NmrOneD 117840 Specdb::NmrOneD 117841 Specdb::NmrOneD 117842 Specdb::NmrOneD 117843 Specdb::NmrOneD 117844 Specdb::NmrOneD 117845 Specdb::NmrOneD 117846 Specdb::NmrOneD 117847 Specdb::NmrOneD 117848 Specdb::NmrOneD 117849 Specdb::NmrOneD 117850 Specdb::NmrOneD 117851 Specdb::NmrOneD 117852 Specdb::NmrOneD 117853 Specdb::NmrOneD 117854 Specdb::NmrOneD 117855 Specdb::NmrOneD 117856 Specdb::NmrOneD 117857 HMDB33091 #<Reference:0x000055ce3332b4f8> Fats and oils Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic