1.0 2011-09-21 01:54:50 UTC 2015-07-21 06:59:42 UTC FDB029375 trans-2-Hexenedioic acid trans-2-Hexenedioic acid is a mono-unsaturated dicarboxylic acid. trans-2-Hexenedioic acid is probably derived from dehydrogenation of adipic acid. It is identified in human urine. [HMDB] (2E)-hex-2-enedioate (2E)-hex-2-enedioic acid (E)-hex-2-enedioate (E)-hex-2-enedioic acid trans-2,3-Dehydroadipate trans-2,3-dehydroadipic acid trans-2,3-Didehydroadipate trans-2,3-didehydroadipic acid C6H8O4 144.1253 144.042258744 (2E)-hex-2-enedioic acid trans-β-hydromuconic acid OC(=O)CC\C=C\C(O)=O InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+ HSBSUGYTMJWPAX-HNQUOIGGSA-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Medium-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid 2-hexenedioic acid Dicarboxylic acids Solid logp 0.32 ALOGPS logs -1.18 ALOGPS solubility 9.54e+00 g/l ALOGPS logp 0.49 ChemAxon pka_strongest_acidic 3.89 ChemAxon iupac (2E)-hex-2-enedioic acid ChemAxon average_mass 144.1253 ChemAxon mono_mass 144.042258744 ChemAxon smiles OC(=O)CC\C=C\C(O)=O ChemAxon formula C6H8O4 ChemAxon inchi InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+ ChemAxon inchikey HSBSUGYTMJWPAX-HNQUOIGGSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 33.83 ChemAxon polarizability 13.6 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2895 Specdb::MsIr 2896 Specdb::MsIr 2897 Specdb::CMs 10518 Specdb::CMs 40112 Specdb::CMs 132492 Specdb::CMs 140226 Specdb::MsMs 289183 Specdb::MsMs 289184 Specdb::MsMs 289185 Specdb::MsMs 328549 Specdb::MsMs 328550 Specdb::MsMs 328551 Specdb::MsMs 2358852 Specdb::MsMs 2358853 Specdb::MsMs 2358854 Specdb::MsMs 2603720 Specdb::MsMs 2603721 Specdb::MsMs 2603722 Specdb::NmrOneD 11942 Specdb::NmrOneD 11943 Specdb::NmrOneD 11944 Specdb::NmrOneD 11945 Specdb::NmrOneD 11946 Specdb::NmrOneD 11947 Specdb::NmrOneD 11948 Specdb::NmrOneD 11949 Specdb::NmrOneD 11950 Specdb::NmrOneD 11951 Specdb::NmrOneD 11952 Specdb::NmrOneD 11953 Specdb::NmrOneD 11954 Specdb::NmrOneD 11955 Specdb::NmrOneD 11956 Specdb::NmrOneD 11957 Specdb::NmrOneD 11958 Specdb::NmrOneD 11959 Specdb::NmrOneD 11960 Specdb::NmrOneD 11961 HMDB13311 49296