1.0 2016-09-30 22:29:54 UTC 2020-04-22 15:03:21 UTC BMDB0000393 BMDB00393 3-Hexenedioic acid (e)-3-Hexenedioic acid (e)-Hex-3-enedioic acid (e)-3-Hexenedioate (e)-Hex-3-enedioate 3-Hexenedioate trans-2-Butene-1,4-dicarboxylate trans-2-Butene-1,4-dicarboxylic acid trans-3-Hexenedioate trans-3-Hexenedioic acid trans-b-Hydromuconate trans-b-Hydromuconic acid trans-beta-Hydromuconate trans-beta-Hydromuconic acid cis,cis-Muconate Muconic acid trans,trans-Muconic acid Muconic acid, (e,e)-isomer C6H8O4 144.1253 144.042258744 (3E)-hex-3-enedioic acid 3-hexenedioic acid 29311-53-3 OC(=O)C\C=C\CC(O)=O InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+ YHGNXQAFNHCBTK-OWOJBTEDSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids 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 Aliphatic acyclic compounds 3-hexenedioic acid Dicarboxylic acids Solid water_solubility 17 mg/mL logp 0.29 ALOGPS logs -1.12 ALOGPS logp 0.13 ChemAxon pka_strongest_acidic 3.77 ChemAxon iupac (3E)-hex-3-enedioic acid ChemAxon average_mass 144.1253 ChemAxon mono_mass 144.042258744 ChemAxon smiles OC(=O)C\C=C\CC(O)=O ChemAxon formula C6H8O4 ChemAxon inchi InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+ ChemAxon inchikey YHGNXQAFNHCBTK-OWOJBTEDSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 33.86 ChemAxon polarizability 13.44 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 466 Specdb::MsIr 467 Specdb::MsIr 468 Specdb::CMs 1189 Specdb::CMs 17543 Specdb::CMs 31138 Specdb::CMs 37493 Specdb::CMs 137240 Specdb::CMs 144974 Specdb::CMs 1060338 Specdb::CMs 1060339 Specdb::CMs 1060341 Specdb::NmrTwoD 1295 Specdb::MsMs 600 Specdb::MsMs 601 Specdb::MsMs 602 Specdb::MsMs 304831 Specdb::MsMs 304832 Specdb::MsMs 304833 Specdb::MsMs 348127 Specdb::MsMs 348128 Specdb::MsMs 348129 Specdb::MsMs 2682093 Specdb::MsMs 2682094 Specdb::MsMs 2682095 Specdb::MsMs 3026940 Specdb::MsMs 3026941 Specdb::MsMs 3026942 Specdb::NmrOneD 1353 Specdb::NmrOneD 6702 Specdb::NmrOneD 6703 Specdb::NmrOneD 6704 Specdb::NmrOneD 6705 Specdb::NmrOneD 6706 Specdb::NmrOneD 6707 Specdb::NmrOneD 6708 Specdb::NmrOneD 6709 Specdb::NmrOneD 6710 Specdb::NmrOneD 6711 Specdb::NmrOneD 6712 Specdb::NmrOneD 6713 Specdb::NmrOneD 6714 Specdb::NmrOneD 6715 Specdb::NmrOneD 6716 Specdb::NmrOneD 6717 Specdb::NmrOneD 6718 Specdb::NmrOneD 6719 Specdb::NmrOneD 6720 Specdb::NmrOneD 6721 FDB022011 5351896 4508880 86952 5382 Stille, J. K. Carbonylation of diolefins. Belg. (1979), 19 pp. CODEN: BEXXAL BE 877770 19791116 CAN 92:214907 AN 1980:214907