1.0 2016-09-30 22:55:29 UTC 2020-05-05 18:37:59 UTC BMDB0002466 BMDB02466 3-Hydroxybenzoic acid 3-Carboxyphenol m-Hydroxybenzoic acid m-Salicylic acid m-Hydroxybenzoate m-Salicylate 3-Hydroxybenzoate 3-Hydroxybenzoic acid, monosodium salt Sodium 3-hydroxybenzoic acid 3-Hydroxybenzoic acid, copper (2+) (1:1) salt 3-Hydroxy benzoate 3-Hydroxy benzoic acid Acido m-idrossibenzoico Kyselina 3-hydroxybenzoova m-Hba Meta-hydroxybenzoate Meta-hydroxybenzoic acid 3-Hydroxybenzoic acid 3-Hydroxybenzenecarboxylic acid C7H6O3 138.122 138.031694053 3-hydroxybenzoic acid 3-hydroxybenzoic acid 99-06-9 OC(=O)C1=CC(O)=CC=C1 InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-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 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 Aromatic homomonocyclic compounds monohydroxybenzoic acid Solid melting_point 202 °C water_solubility 7.25 mg/mL at 25 °C logp 1.5 HANSCH,C ET AL. (1995) logp 1.81 ALOGPS logs -1.13 ALOGPS logp 1.33 ChemAxon pka_strongest_acidic 3.84 ChemAxon pka_strongest_basic -6 ChemAxon iupac 3-hydroxybenzoic acid ChemAxon average_mass 138.122 ChemAxon mono_mass 138.031694053 ChemAxon smiles OC(=O)C1=CC(O)=CC=C1 ChemAxon formula C7H6O3 ChemAxon inchi InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) ChemAxon inchikey IJFXRHURBJZNAO-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 35.3 ChemAxon polarizability 12.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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 1786 Specdb::MsIr 1787 Specdb::MsIr 1788 Specdb::CMs 1265 Specdb::CMs 5799 Specdb::CMs 29668 Specdb::CMs 30076 Specdb::CMs 31419 Specdb::CMs 31940 Specdb::CMs 38425 Specdb::CMs 157411 Specdb::EiMs 1656 Specdb::NmrOneD 4009 Specdb::NmrOneD 4296 Specdb::NmrOneD 122518 Specdb::NmrOneD 122519 Specdb::NmrOneD 122520 Specdb::NmrOneD 122521 Specdb::NmrOneD 122522 Specdb::NmrOneD 122523 Specdb::NmrOneD 122524 Specdb::NmrOneD 122525 Specdb::NmrOneD 122526 Specdb::NmrOneD 122527 Specdb::NmrOneD 122528 Specdb::NmrOneD 122529 Specdb::NmrOneD 122530 Specdb::NmrOneD 122531 Specdb::NmrOneD 122532 Specdb::NmrOneD 122533 Specdb::NmrOneD 122534 Specdb::NmrOneD 122535 Specdb::NmrOneD 122536 Specdb::NmrOneD 122537 Specdb::MsMs 8435 Specdb::MsMs 8436 Specdb::MsMs 8437 Specdb::MsMs 15107 Specdb::MsMs 15108 Specdb::MsMs 15109 Specdb::MsMs 437806 Specdb::MsMs 437807 Specdb::MsMs 437808 Specdb::MsMs 437809 Specdb::MsMs 437810 Specdb::MsMs 438615 Specdb::MsMs 440169 Specdb::MsMs 2227279 Specdb::MsMs 2227453 Specdb::MsMs 2229604 Specdb::MsMs 2229855 Specdb::MsMs 2232060 Specdb::MsMs 2232147 Specdb::MsMs 2234441 Specdb::MsMs 2234474 Specdb::MsMs 2236379 Specdb::MsMs 2236985 Specdb::MsMs 2248839 Specdb::MsMs 2259194 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 FDB010507 C00587 7142 7420 429 30764 C00040822 3-HYDROXYBENZOATE 3-Hydroxybenzoic_acid 6690 Ungnade, H. E.; Henick, A. S. Preparation of m-hydroxybenzoic acid. Journal of the American Chemical Society (1942), 64 1737-8.