1.0 2016-09-30 22:41:51 UTC 2020-04-22 15:06:54 UTC BMDB0001164 BMDB01164 trans-1,2-Dihydrobenzene-1,2-diol (1R,2R)-1,2-Dihydrobenzene-1,2-diol Arene diol cis-3,5-Cyclohexadiene-1,2-diol solution Racemic mixture OF (+)- and (-)-1,2-dihydroxy-1,2-dihydrobenzene Rel-(1R,2R)-cyclohexa-3,5-diene-1,2-diol trans-(+-)-3,5-Cyclohexadiene-1,2-diol trans-3,5-Cyclohexadiene-1,2-diol trans-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.1265 112.0524295 (1R,2R)-cyclohexa-3,5-diene-1,2-diol arene diol O[C@@H]1C=CC=C[C@H]1O InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1 YDRSQRPHLBEPTP-PHDIDXHHSA-N belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols 1,2-diols Hydrocarbon derivatives Secondary alcohols 1,2-diol Aliphatic homomonocyclic compound Hydrocarbon derivative Secondary alcohol Aliphatic homomonocyclic compounds trans-cyclohexa-3,5-diene-1,2-diol Solid logp -0.18 ALOGPS logs 0.20 ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 13.47 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (1R,2R)-cyclohexa-3,5-diene-1,2-diol ChemAxon average_mass 112.1265 ChemAxon mono_mass 112.0524295 ChemAxon smiles O[C@@H]1C=CC=C[C@H]1O ChemAxon formula C6H8O2 ChemAxon inchi InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1 ChemAxon inchikey YDRSQRPHLBEPTP-PHDIDXHHSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 32.56 ChemAxon polarizability 11.13 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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 17405 Specdb::CMs 37953 Specdb::CMs 137765 Specdb::CMs 145499 Specdb::MsIr 1106 Specdb::MsIr 1107 Specdb::MsMs 304483 Specdb::MsMs 304484 Specdb::MsMs 304485 Specdb::MsMs 347698 Specdb::MsMs 347699 Specdb::MsMs 347700 Specdb::MsMs 2750977 Specdb::MsMs 2750978 Specdb::MsMs 2750979 Specdb::MsMs 2928316 Specdb::MsMs 2928317 Specdb::MsMs 2928318 Specdb::NmrOneD 21302 Specdb::NmrOneD 21303 Specdb::NmrOneD 21304 Specdb::NmrOneD 21305 Specdb::NmrOneD 21306 Specdb::NmrOneD 21307 Specdb::NmrOneD 21308 Specdb::NmrOneD 21309 Specdb::NmrOneD 21310 Specdb::NmrOneD 21311 Specdb::NmrOneD 21312 Specdb::NmrOneD 21313 Specdb::NmrOneD 21314 Specdb::NmrOneD 21315 Specdb::NmrOneD 21316 Specdb::NmrOneD 21317 Specdb::NmrOneD 21318 Specdb::NmrOneD 21319 Specdb::NmrOneD 21320 Specdb::NmrOneD 21321 C04221 FDB022458 131491 149186 10702 Sato, Tokuro; Fukuyama, Tomitaro; Suzuki, Taeko; Yoshikawa, Haruhisa. 1,2-Dihydro-1,2-dihydroxybenzene and several other substances in the metabolism of benzene. Journal of Biochemistry (Tokyo, Japan) (1963), 53 23-7. BMDBP00383 Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q148L6 DHDH Enzyme