1.0 2010-04-08 22:09:55 UTC 2019-11-26 03:05:49 UTC FDB011953 4-Heptenoic acid Isol. as the Me ester from oil of Humulus lupulus (hops). 4-Heptenoic acid is found in alcoholic beverages and fats and oils. (Z)-4-Heptenoic acid (Z)-Hept-4-enoic acid 4-Heptenoic acid, (Z)- Hex-3-ene-1-carboxylic acid C7H12O2 128.169 128.083729628 (4Z)-hept-4-enoic acid (4Z)-hept-4-enoic acid 35194-37-7 CC\C=C/CCC(O)=O InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3- KFXPOIKSDYRVKS-ARJAWSKDSA-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 Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Unsaturated fatty acids logp 1.85 ALOGPS logs -1.52 ALOGPS solubility 3.86e+00 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 5.05 ChemAxon iupac (4Z)-hept-4-enoic acid ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CC\C=C/CCC(O)=O ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3- ChemAxon inchikey KFXPOIKSDYRVKS-ARJAWSKDSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 36.79 ChemAxon polarizability 14.28 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6264 Specdb::MsIr 6265 Specdb::MsIr 6266 Specdb::NmrOneD 122838 Specdb::NmrOneD 122839 Specdb::NmrOneD 122840 Specdb::NmrOneD 122841 Specdb::NmrOneD 122842 Specdb::NmrOneD 122843 Specdb::NmrOneD 122844 Specdb::NmrOneD 122845 Specdb::NmrOneD 122846 Specdb::NmrOneD 122847 Specdb::NmrOneD 122848 Specdb::NmrOneD 122849 Specdb::NmrOneD 122850 Specdb::NmrOneD 122851 Specdb::NmrOneD 122852 Specdb::NmrOneD 122853 Specdb::NmrOneD 122854 Specdb::NmrOneD 122855 Specdb::NmrOneD 122856 Specdb::NmrOneD 122857 Specdb::CMs 19762 Specdb::CMs 43507 Specdb::CMs 145929 Specdb::MsMs 97356 Specdb::MsMs 97357 Specdb::MsMs 97358 Specdb::MsMs 162060 Specdb::MsMs 162061 Specdb::MsMs 162062 Specdb::MsMs 2475227 Specdb::MsMs 2475228 Specdb::MsMs 2475229 Specdb::MsMs 2491136 Specdb::MsMs 2491137 Specdb::MsMs 2491138 HMDB33793 #<Reference:0x000055ce2f548528> Alcoholic beverages Unknown generic Fats and oils Unknown generic