1.0 2011-09-21 00:19:35 UTC 2015-10-09 22:33:23 UTC FDB022785 4-Hydroxycyclohexylcarboxylic acid A rare compound in urinary organic acid analysis [HMDB] 4-Hydroxycyclohexane-1-carboxylic acid 4-Hydroxycyclohexanecarboxylic acid C7H12O3 144.1684 144.07864425 4-hydroxycyclohexane-1-carboxylic acid 4-hydroxycyclohexane-1-carboxylic acid 17419-81-7 OC1CCC(CC1)C(O)=O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Cyclohexanols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Solid logp 0.56 ALOGPS logs 0.03 ALOGPS solubility 1.56e+02 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 4.51 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 4-hydroxycyclohexane-1-carboxylic acid ChemAxon average_mass 144.1684 ChemAxon mono_mass 144.07864425 ChemAxon smiles OC1CCC(CC1)C(O)=O ChemAxon formula C7H12O3 ChemAxon inchi InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) ChemAxon inchikey HCFRWBBJISAZNK-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 35.52 ChemAxon polarizability 14.94 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26214 Specdb::CMs 32226 Specdb::CMs 38213 Specdb::CMs 99736 Specdb::CMs 174357 Specdb::MsMs 1929 Specdb::MsMs 1930 Specdb::MsMs 1931 Specdb::MsMs 10793 Specdb::MsMs 10794 Specdb::MsMs 10795 Specdb::MsMs 17465 Specdb::MsMs 17466 Specdb::MsMs 17467 Specdb::MsMs 2245038 Specdb::MsMs 2245053 Specdb::MsMs 2247117 Specdb::MsMs 2328189 Specdb::MsMs 2328190 Specdb::MsMs 2328191 Specdb::MsMs 2634904 Specdb::MsMs 2634905 Specdb::MsMs 2634906 HMDB01988 16817 #<Reference:0x00007f093c038ff8> #<Reference:0x00007f093c038e18> 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