1.0 2010-04-08 22:15:41 UTC 2018-05-29 01:51:10 UTC FDB021411 D8'-Merulinic acid A Isolated from pistachio shells 2-(8-Heptadecenyl)-4,6-dihydroxybenzoic acid D8'-Merulinic acid A Merulinic acid A C24H38O4 390.5561 390.277009704 2-[(8E)-heptadec-8-en-1-yl]-4,6-dihydroxybenzoic acid 2-[(8E)-heptadec-8-en-1-yl]-4,6-dihydroxybenzoic acid 69506-65-6 CCCCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1C(O)=O InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9+ IXDZSQUQSCLSSD-MDZDMXLPSA-N belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Hydroxybenzoic acid derivatives 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 Resorcinols Salicylic acids Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Dihydroxybenzoic acid Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol Salicylic acid Salicylic acid or derivatives Vinylogous acid logp 7.84 ALOGPS logs -5.79 ALOGPS solubility 6.28e-04 g/l ALOGPS melting_point Mp 116-117° (95-97°) logp 8.94 ChemAxon pka_strongest_acidic 2.95 ChemAxon pka_strongest_basic -5.8 ChemAxon iupac 2-[(8E)-heptadec-8-en-1-yl]-4,6-dihydroxybenzoic acid ChemAxon average_mass 390.5561 ChemAxon mono_mass 390.277009704 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1C(O)=O ChemAxon formula C24H38O4 ChemAxon inchi InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9+ ChemAxon inchikey IXDZSQUQSCLSSD-MDZDMXLPSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 117.05 ChemAxon polarizability 48.37 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17335 Specdb::CMs 47329 Specdb::CMs 159638 Specdb::MsMs 304327 Specdb::MsMs 304328 Specdb::MsMs 304329 Specdb::MsMs 347485 Specdb::MsMs 347486 Specdb::MsMs 347487 Specdb::MsMs 2366488 Specdb::MsMs 2366489 Specdb::MsMs 2366490 Specdb::MsMs 2599386 Specdb::MsMs 2599387 Specdb::MsMs 2599388 HMDB41454 #<Reference:0x000055ce33504108>