1.0 2016-09-30 22:30:18 UTC 2020-04-22 15:03:28 UTC BMDB0000413 BMDB00413 3-Hydroxydodecanedioic acid 3-Hydroxydodecanedioate 3-Hydroxy-dodecanedioate C12H22O5 246.3001 246.146723814 3-hydroxydodecanedioic acid 3-hydroxydodecanedioic acid 34574-69-1 OC(CCCCCCCCC(O)=O)CC(O)=O InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17) FYVQCLGZFXHEGL-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds Dicarboxylic acids Solid logp 1.49 ALOGPS logs -2.47 ALOGPS logp 1.93 ChemAxon pka_strongest_acidic 4.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxydodecanedioic acid ChemAxon average_mass 246.3001 ChemAxon mono_mass 246.146723814 ChemAxon smiles OC(CCCCCCCCC(O)=O)CC(O)=O ChemAxon formula C12H22O5 ChemAxon inchi InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17) ChemAxon inchikey FYVQCLGZFXHEGL-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 61.86 ChemAxon polarizability 27.58 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 1360 Specdb::NmrTwoD 1303 Specdb::CMs 18769 Specdb::CMs 37513 Specdb::CMs 171293 Specdb::CMs 1060895 Specdb::CMs 1060897 Specdb::CMs 1060899 Specdb::CMs 1060901 Specdb::CMs 1060903 Specdb::CMs 1060905 Specdb::CMs 1060907 Specdb::CMs 1060908 Specdb::CMs 1060910 Specdb::CMs 1060912 Specdb::CMs 1060914 Specdb::CMs 1060916 Specdb::CMs 1060918 Specdb::MsMs 307687 Specdb::MsMs 307688 Specdb::MsMs 307689 Specdb::MsMs 351694 Specdb::MsMs 351695 Specdb::MsMs 351696 Specdb::MsMs 2384117 Specdb::MsMs 2384118 Specdb::MsMs 2384119 Specdb::MsMs 2581932 Specdb::MsMs 2581933 Specdb::MsMs 2581934 FDB022029 13628081 16663321 5402 Schreurs, P. H. M.; Montijn, P. P.; Hoff, S. New synthesis of trans-2-dodecene-1,12-dioic acid (traumatic acid). Recueil des Travaux Chimiques des Pays-Bas (1971), 90(12), 1331-2.