1.0 2010-04-08 22:15:41 UTC 2018-05-29 01:51:09 UTC FDB021410 D8'-Merulinic acid C Isolated from pistachio shells 2-(8-Heptadecenyl)-6-hydroxybenzoic acid 6-(8-Heptadecenyl)salicylic acid D8'-Merulinic acid C Geranicardic acid Merulinic acid C C24H38O3 374.5567 374.282095082 2-[(8E)-heptadec-8-en-1-yl]-6-hydroxybenzoic acid 2-[(8E)-heptadec-8-en-1-yl]-6-hydroxybenzoic acid 69506-63-4 CCCCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1 InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9+ NRSDQEWAMHRTMK-MDZDMXLPSA-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 8.51 ALOGPS logs -6.41 ALOGPS solubility 1.44e-04 g/l ALOGPS melting_point Mp 33-33.5° logp 9.24 ChemAxon pka_strongest_acidic 2.64 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2-[(8E)-heptadec-8-en-1-yl]-6-hydroxybenzoic acid ChemAxon average_mass 374.5567 ChemAxon mono_mass 374.282095082 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCC1=C(C(O)=O)C(O)=CC=C1 ChemAxon formula C24H38O3 ChemAxon inchi InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9+ ChemAxon inchikey NRSDQEWAMHRTMK-MDZDMXLPSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 115.07 ChemAxon polarizability 47.43 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11753 Specdb::CMs 47328 Specdb::CMs 134097 Specdb::CMs 141831 Specdb::MsMs 291952 Specdb::MsMs 291953 Specdb::MsMs 291954 Specdb::MsMs 332011 Specdb::MsMs 332012 Specdb::MsMs 332013 Specdb::MsMs 2346248 Specdb::MsMs 2346249 Specdb::MsMs 2346250 Specdb::MsMs 2592772 Specdb::MsMs 2592773 Specdb::MsMs 2592774 HMDB41453 #<Reference:0x000055ce32bf5850>