1.0 2020-03-10 17:00:58 UTC 2020-04-22 18:55:58 UTC BMDB0096086 BMDB96086 3,5-Dihydroxybenzoic acid alpha-Resorcylic acid a-Resorcylate a-Resorcylic acid alpha-Resorcylate Α-resorcylate Α-resorcylic acid 3,5-Dihydroxybenzoate 3,5-Dihydroxy-benzoic acid 3,5-Dihydroxybenzoic acid (acd/name 4.0) 5-Carboxyresorcinol Benzoate Benzoic acid alpha-Resorcylic acid, copper (2+) salt alpha-Resorcylic acid, sodium salt 3,5-DHBA 3,5-Dihydroxybenzoic acid C7H6O4 154.121 154.026608673 3,5-dihydroxybenzoic acid 3,5-dihydroxybenzoic acid 99-10-5 OC(=O)C1=CC(O)=CC(O)=C1 InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) UYEMGAFJOZZIFP-UHFFFAOYSA-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. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Hydroxybenzoic acid derivatives 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 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol Aromatic homomonocyclic compounds dihydroxybenzoic acid resorcinols logp 1.29 ALOGPS logs -1.11 ALOGPS logp 1.02 ChemAxon pka_strongest_acidic 3.61 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 3,5-dihydroxybenzoic acid ChemAxon average_mass 154.121 ChemAxon mono_mass 154.026608673 ChemAxon smiles OC(=O)C1=CC(O)=CC(O)=C1 ChemAxon formula C7H6O4 ChemAxon inchi InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) ChemAxon inchikey UYEMGAFJOZZIFP-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 37.28 ChemAxon polarizability 13.88 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2922 Specdb::MsIr 2923 Specdb::MsIr 2924 Specdb::CMs 5714 Specdb::CMs 40163 Specdb::CMs 164997 Specdb::MsMs 57897 Specdb::MsMs 57898 Specdb::MsMs 57899 Specdb::MsMs 113706 Specdb::MsMs 113707 Specdb::MsMs 113708 Specdb::MsMs 1448479 Specdb::MsMs 2252720 Specdb::MsMs 2254830 Specdb::MsMs 2255759 Specdb::MsMs 2315690 Specdb::MsMs 2315691 Specdb::MsMs 2315692 Specdb::MsMs 2622533 Specdb::MsMs 2622534 Specdb::MsMs 2622535 Specdb::NmrOneD 12002 Specdb::NmrOneD 12003 Specdb::NmrOneD 12004 Specdb::NmrOneD 12005 Specdb::NmrOneD 12006 Specdb::NmrOneD 12007 Specdb::NmrOneD 12008 Specdb::NmrOneD 12009 Specdb::NmrOneD 12010 Specdb::NmrOneD 12011 Specdb::NmrOneD 12012 Specdb::NmrOneD 12013 Specdb::NmrOneD 12014 Specdb::NmrOneD 12015 Specdb::NmrOneD 12016 Specdb::NmrOneD 12017 Specdb::NmrOneD 12018 Specdb::NmrOneD 12019 Specdb::NmrOneD 12020 Specdb::NmrOneD 12021 FDB000848 436 7146 7424 C00016318 39912 CPD0-1274 3,5-Dihydroxybenzoic_acid