1.0 2016-09-30 22:38:29 UTC 2020-04-22 15:05:55 UTC BMDB0000909 BMDB00909 trans-4-Hydroxycyclohexylacetic acid trans-4-Hydroxycyclohexylacetate 4-Hydroxy-cyclohexyl acetic acid ester 4-Hydroxycyclohexyl acetate 2-[(1R,4R)-4-Hydroxycyclohexyl]acetate C8H14O3 158.195 158.094294314 2-[(1r,4r)-4-hydroxycyclohexyl]acetic acid [(1r,4r)-4-hydroxycyclohexyl]acetic acid 68592-23-4 O[C@H]1CC[C@H](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)/t6-,7- ALTAAUJNHYWOGS-LJGSYFOKSA-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-[(1r,4r)-4-hydroxycyclohexyl]acetic acid ChemAxon average_mass 158.195 ChemAxon mono_mass 158.094294314 ChemAxon smiles O[C@H]1CC[C@H](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)/t6-,7- ChemAxon inchikey ALTAAUJNHYWOGS-LJGSYFOKSA-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::MsIr 963 Specdb::MsIr 964 Specdb::MsIr 965 Specdb::CMs 15243 Specdb::CMs 37838 Specdb::CMs 137854 Specdb::CMs 145588 Specdb::CMs 1081365 Specdb::CMs 1081367 Specdb::CMs 1081369 Specdb::CMs 1081371 Specdb::CMs 1081372 Specdb::MsMs 63549 Specdb::MsMs 63550 Specdb::MsMs 63551 Specdb::MsMs 120513 Specdb::MsMs 120514 Specdb::MsMs 120515 Specdb::MsMs 2678069 Specdb::MsMs 2678070 Specdb::MsMs 2678071 Specdb::MsMs 3031358 Specdb::MsMs 3031359 Specdb::MsMs 3031360 FDB022313 17216021 88508 5865 Ungnade, Herbert E.; Morriss, Francis V. Hydrogenation of phenolic acids. Journal of the American Chemical Society (1948), 70 1898-9.