1.0 2016-09-30 22:30:58 UTC 2020-04-22 15:03:40 UTC BMDB0000451 BMDB00451 cis-4-Hydroxycyclohexylacetic acid cis-4-Hydroxycyclohexylacetate 4-Hydroxy-cyclohexylessigsaeure 4-Hydroxycyclohexylacetate 4-Hydroxycyclohexylacetic acid 2-(4-Hydroxycyclohexyl)acetate C8H14O3 158.195 158.094294314 2-(4-hydroxycyclohexyl)acetic acid 4-hydroxycyclohexylacetate 68592-22-3 OC1CCC(CC(O)=O)CC1 InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11) ALTAAUJNHYWOGS-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 0.93 ALOGPS logs -0.77 ALOGPS logp 0.69 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 2-(4-hydroxycyclohexyl)acetic acid ChemAxon average_mass 158.195 ChemAxon mono_mass 158.094294314 ChemAxon smiles OC1CCC(CC(O)=O)CC1 ChemAxon formula C8H14O3 ChemAxon inchi InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11) ChemAxon inchikey ALTAAUJNHYWOGS-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.09 ChemAxon polarizability 16.85 ChemAxon rotatable_bond_count 2 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 21991 Specdb::CMs 37545 Specdb::CMs 150313 Specdb::CMs 1062950 Specdb::CMs 1062952 Specdb::CMs 1062954 Specdb::CMs 1062956 Specdb::CMs 1062958 Specdb::MsMs 69999 Specdb::MsMs 70000 Specdb::MsMs 70001 Specdb::MsMs 128421 Specdb::MsMs 128422 Specdb::MsMs 128423 Specdb::MsMs 2725121 Specdb::MsMs 2725122 Specdb::MsMs 2725123 Specdb::MsMs 2957592 Specdb::MsMs 2957593 Specdb::MsMs 2957594 Specdb::NmrOneD 6802 Specdb::NmrOneD 6803 Specdb::NmrOneD 6804 Specdb::NmrOneD 6805 Specdb::NmrOneD 6806 Specdb::NmrOneD 6807 Specdb::NmrOneD 6808 Specdb::NmrOneD 6809 Specdb::NmrOneD 6810 Specdb::NmrOneD 6811 Specdb::NmrOneD 6812 Specdb::NmrOneD 6813 Specdb::NmrOneD 6814 Specdb::NmrOneD 6815 Specdb::NmrOneD 6816 Specdb::NmrOneD 6817 Specdb::NmrOneD 6818 Specdb::NmrOneD 6819 Specdb::NmrOneD 6820 Specdb::NmrOneD 6821 FDB022054 13628091 12702257 89344 Ungnade, Herbert E.; Morriss, Francis V. Hydrogenation of phenolic acids. Journal of the American Chemical Society (1948), 70 1898-9. CODEN: JACSAT ISSN:0002-7863. CAN 42:29753 AN 1948:29753