1.0 2011-09-21 00:29:47 UTC 2015-10-09 22:31:55 UTC FDB023425 4-Hydroxy-3-methylbenzoic acid 4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population. (PMID 8087979) [HMDB] 3-Methyl-4-hydroxybenzoate 3-Methyl-4-hydroxybenzoic acid 4-hydroxy-3-methyl-Benzoate 4-hydroxy-3-methyl-Benzoic acid 4-Hydroxy-3-methylbenzoate 4-Hydroxy-3-methylbenzoic acid 4,3-Cresotic acid C8H8O3 152.1473 152.047344122 4-hydroxy-3-methylbenzoic acid 4-hydroxy-3-methylbenzoic acid 499-76-3 CC1=CC(=CC=C1O)C(O)=O InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) LTFHNKUKQYVHDX-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. Hydroxybenzoic acid derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives O-cresol Organic oxide Organic oxygen compound Organooxygen compound Phenol Toluene monohydroxybenzoic acid toluenes Solid logp 1.86 ALOGPS logs -1.53 ALOGPS solubility 4.52e+00 g/l ALOGPS logp 1.84 ChemAxon pka_strongest_acidic 4.38 ChemAxon pka_strongest_basic -6 ChemAxon iupac 4-hydroxy-3-methylbenzoic acid ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles CC1=CC(=CC=C1O)C(O)=O ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) ChemAxon inchikey LTFHNKUKQYVHDX-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.34 ChemAxon polarizability 15.01 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1942 Specdb::MsIr 2242 Specdb::MsIr 2243 Specdb::MsIr 2244 Specdb::CMs 14230 Specdb::CMs 38810 Specdb::CMs 175115 Specdb::NmrOneD 2007 Specdb::NmrOneD 54482 Specdb::NmrOneD 54483 Specdb::NmrOneD 54484 Specdb::NmrOneD 54485 Specdb::NmrOneD 54486 Specdb::NmrOneD 54487 Specdb::NmrOneD 54488 Specdb::NmrOneD 54489 Specdb::NmrOneD 54490 Specdb::NmrOneD 54491 Specdb::NmrOneD 54492 Specdb::NmrOneD 54493 Specdb::NmrOneD 54494 Specdb::NmrOneD 54495 Specdb::NmrOneD 54496 Specdb::NmrOneD 54497 Specdb::NmrOneD 54498 Specdb::NmrOneD 54499 Specdb::NmrOneD 54500 Specdb::NmrOneD 54501 Specdb::NmrOneD 166615 Specdb::NmrOneD 166616 Specdb::MsMs 2409 Specdb::MsMs 2410 Specdb::MsMs 2411 Specdb::MsMs 297379 Specdb::MsMs 297380 Specdb::MsMs 297381 Specdb::MsMs 338893 Specdb::MsMs 338894 Specdb::MsMs 338895 Specdb::MsMs 2232730 Specdb::MsMs 2233884 Specdb::MsMs 2235072 Specdb::MsMs 2756386 Specdb::MsMs 2756387 Specdb::MsMs 2756388 Specdb::MsMs 2953359 Specdb::MsMs 2953360 Specdb::MsMs 2953361 HMDB04815 #<Reference:0x000055ce333055c8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823