1.0 2010-04-08 22:13:23 UTC 2019-11-26 03:15:24 UTC FDB017904 2-Hydroxy-6-(8-tridecenyl)benzoic acid Isolated from pistachio shells. 2-Hydroxy-6-(8-tridecenyl)benzoic acid is found in nuts. 2-Hydroxy-6-(8-tridecenyl)benzoic acid 6-(8-Tridecenyl)salicylic acid C20H30O3 318.4504 318.219494826 2-hydroxy-6-[(7Z)-tridec-7-en-1-yl]benzoic acid 2-hydroxy-6-[(7Z)-tridec-7-en-1-yl]benzoic acid 88640-88-4 CCCCC\C=C/CCCCCCC1=C(C(O)=O)C(O)=CC=C1 InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h6-7,13,15-16,21H,2-5,8-12,14H2,1H3,(H,22,23)/b7-6- NIHXXEQAKMXJMU-SREVYHEPSA-N belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. Salicylic acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Salicylic acid Vinylogous acid logp 6.87 ALOGPS logs -5.68 ALOGPS solubility 6.71e-04 g/l ALOGPS logp 7.46 ChemAxon pka_strongest_acidic 2.64 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2-hydroxy-6-[(7Z)-tridec-7-en-1-yl]benzoic acid ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CCCCC\C=C/CCCCCCC1=C(C(O)=O)C(O)=CC=C1 ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h6-7,13,15-16,21H,2-5,8-12,14H2,1H3,(H,22,23)/b7-6- ChemAxon inchikey NIHXXEQAKMXJMU-SREVYHEPSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 96.66 ChemAxon polarizability 38.4 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20884 Specdb::CMs 45885 Specdb::CMs 175241 Specdb::MsMs 44853 Specdb::MsMs 44854 Specdb::MsMs 44855 Specdb::MsMs 174246 Specdb::MsMs 174247 Specdb::MsMs 174248 Specdb::MsMs 2778892 Specdb::MsMs 2778893 Specdb::MsMs 2778894 Specdb::MsMs 2903928 Specdb::MsMs 2903929 Specdb::MsMs 2903930 HMDB38521 #<Reference:0x000055ce326eef00> Nuts Unknown generic