1.0 2010-04-08 22:14:41 UTC 2015-07-21 06:40:12 UTC FDB019919 Ethyl hydrogen fumarate Fungal growth inhibitor for tomato juice (2E)-4-Ethoxy-4-oxo-2-butenoic acid 2-Butenedioic acid (E)-, monoethyl ester Ethyl hydrogen fumarate Fumaric acid monoethyl ester Monoethyl fumarate Potassium ethyl fumarate C6H8O4 144.1253 144.042258744 (2Z)-4-ethoxy-4-oxobut-2-enoic acid (2Z)-4-ethoxy-4-oxobut-2-enoic acid 2459-05-4 CCOC(=O)\C=C/C(O)=O InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3- XLYMOEINVGRTEX-ARJAWSKDSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Enoate esters Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 0.86 ALOGPS logs -0.76 ALOGPS solubility 2.52e+01 g/l ALOGPS melting_point Mp 66-68° (65°) logp 0.7 ChemAxon pka_strongest_acidic 3.08 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (2Z)-4-ethoxy-4-oxobut-2-enoic acid ChemAxon average_mass 144.1253 ChemAxon mono_mass 144.042258744 ChemAxon smiles CCOC(=O)\C=C/C(O)=O ChemAxon formula C6H8O4 ChemAxon inchi InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3- ChemAxon inchikey XLYMOEINVGRTEX-ARJAWSKDSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 34.12 ChemAxon polarizability 13.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8776 Specdb::MsIr 8777 Specdb::MsIr 8778 Specdb::MsMs 321349 Specdb::MsMs 321350 Specdb::MsMs 321351 Specdb::MsMs 368953 Specdb::MsMs 368954 Specdb::MsMs 368955 Specdb::MsMs 2273073 Specdb::MsMs 2273074 Specdb::MsMs 2273075 Specdb::MsMs 3068850 Specdb::MsMs 3068851 Specdb::MsMs 3068852 Specdb::CMs 24971 Specdb::CMs 46709 Specdb::CMs 160376 Specdb::NmrOneD 39042 Specdb::NmrOneD 39043 Specdb::NmrOneD 39044 Specdb::NmrOneD 39045 Specdb::NmrOneD 39046 Specdb::NmrOneD 39047 Specdb::NmrOneD 39048 Specdb::NmrOneD 39049 Specdb::NmrOneD 39050 Specdb::NmrOneD 39051 Specdb::NmrOneD 39052 Specdb::NmrOneD 39053 Specdb::NmrOneD 39054 Specdb::NmrOneD 39055 Specdb::NmrOneD 39056 Specdb::NmrOneD 39057 Specdb::NmrOneD 39058 Specdb::NmrOneD 39059 Specdb::NmrOneD 39060 Specdb::NmrOneD 39061 HMDB40207 #<Reference:0x000055ce305acd60>