1.0 2016-09-30 22:38:47 UTC 2020-04-22 15:06:01 UTC BMDB0000933 BMDB00933 Traumatic acid (2E)-Dodecenedioic acid 2E-Dodecenedioic acid Dodec-2-enedioic acid trans-2-Dodecenedioic acid (2E)-Dodecenedioate 2E-Dodecenedioate Dodec-2-enedioate trans-2-Dodecenedioate Traumatate (Z)-2-Dodecenedioate (Z)-2-Dodecenedioic acid 1-Decene-1,10-dicarboxylic acid 2-Dodecendioate 2-Dodecendioic acid 2-Dodecenedioate 2-Dodecenedioic acid Dodec-2C-enedioate Dodec-2C-enedioic acid Dodec-2t-enedioate Dodec-2t-enedioic acid Dodecanedioate Dodecanedioic acid Dodecanedioic acid-2-ene trans-Traumatate trans-Traumatic acid 2-Dodecene-1,12-dicarboxylic acid C12H20O4 228.2848 228.136159128 (2E)-dodec-2-enedioic acid traumatic acid 6402-36-4 OC(=O)CCCCCCCC\C=C\C(O)=O InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+ MAZWDMBCPDUFDJ-VQHVLOKHSA-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 Dicarboxylic acids dicarboxylic acid Solid melting_point 165.5 °C logp 2.96 ALOGPS logs -3.11 ALOGPS logp 3.16 ChemAxon pka_strongest_acidic 4.72 ChemAxon iupac (2E)-dodec-2-enedioic acid ChemAxon average_mass 228.2848 ChemAxon mono_mass 228.136159128 ChemAxon smiles OC(=O)CCCCCCCC\C=C\C(O)=O ChemAxon formula C12H20O4 ChemAxon inchi InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+ ChemAxon inchikey MAZWDMBCPDUFDJ-VQHVLOKHSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 61.44 ChemAxon polarizability 26.06 ChemAxon rotatable_bond_count 10 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::NmrOneD 1610 Specdb::NmrTwoD 1551 Specdb::CMs 24292 Specdb::CMs 37849 Specdb::CMs 170978 Specdb::CMs 1081899 Specdb::CMs 1081901 Specdb::CMs 1081903 Specdb::CMs 1081905 Specdb::CMs 1081907 Specdb::MsMs 1327 Specdb::MsMs 1328 Specdb::MsMs 1329 Specdb::MsMs 319798 Specdb::MsMs 319799 Specdb::MsMs 319800 Specdb::MsMs 367021 Specdb::MsMs 367022 Specdb::MsMs 367023 Specdb::MsMs 2723825 Specdb::MsMs 2723826 Specdb::MsMs 2723827 Specdb::MsMs 2954826 Specdb::MsMs 2954827 Specdb::MsMs 2954828 C16308 FDB006541 4446155 545687 5283028 Traumatic acid 5882 Dupont, G.; Dulou, R.; Quantin, P. Polycarboxylic acids and their derivatives. (1952), FR 1018186 19521229 CAN 52:6571 AN 1958:6571