1.0 2016-09-30 22:49:38 UTC 2020-05-05 18:37:53 UTC BMDB0001988 BMDB01988 4-Hydroxycyclohexylcarboxylic acid 4-Hydroxycyclohexylcarboxylate 4-Hydroxycyclohexane-1-carboxylic acid 4-Hydroxycyclohexanecarboxylic acid 4-HCHC 4-Hydroxycyclohexane-1-carboxylate 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. Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Cyclohexanols 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 Aliphatic homomonocyclic compounds Solid logp 0.56 ALOGPS logs 0.03 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 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::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 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 FDB022785 133210 151138 16817 Inoue, Goro; Kato, Toshio; Oshima, Noboru. 4-Hydroxycyclohexanecarboxylic acid and its related compounds. Jpn. Tokkyo Koho (1968), 3 pp.