2.0 2015-07-03 15:22:18 -0600 2015-08-05 16:22:05 -0600 ECMDB23979 M2MDB006088 Semiquinone An organic radical resulting from the formal addition of one hydrogen atom with its electron to a quinone (or from the formal removal of one hydrogen atom with its electron from the corresponding hydroquinone) Benzosemiquinone Semidione Semiquinone radical C6H5O2 109.104 109.028954401 1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl 1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl O[C]1C=CC(=O)C=C1 InChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H XLHUBROMZOAQMV-UHFFFAOYSA-N logp 0.95 ChemAxon pka_strongest_acidic 15.17 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl ChemAxon average_mass 109.104 ChemAxon mono_mass 109.028954401 ChemAxon smiles O[C]1C=CC(=O)C=C1 ChemAxon formula C6H5O2 ChemAxon inchi InChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H ChemAxon inchikey XLHUBROMZOAQMV-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 32.3 ChemAxon polarizability 10.19 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 112826 Specdb::CMs 126394 Specdb::CMs 953765 Specdb::CMs 953766 Specdb::NmrOneD 304331 Specdb::NmrOneD 304332 Specdb::NmrOneD 304333 Specdb::NmrOneD 304334 Specdb::NmrOneD 304335 Specdb::NmrOneD 304336 Specdb::NmrOneD 304337 Specdb::NmrOneD 304338 Specdb::NmrOneD 304339 Specdb::NmrOneD 304340 Specdb::NmrOneD 304341 Specdb::NmrOneD 304342 Specdb::NmrOneD 304343 Specdb::NmrOneD 304344 Specdb::NmrOneD 304345 Specdb::NmrOneD 304346 Specdb::NmrOneD 304347 Specdb::NmrOneD 304348 Specdb::NmrOneD 304349 Specdb::NmrOneD 304350 Specdb::MsMs 24854 Specdb::MsMs 24855 Specdb::MsMs 24856 Specdb::MsMs 31412 Specdb::MsMs 31413 Specdb::MsMs 31414 C05309 NADPH + Hydrogen ion + 2 Quinone <> NADP +2 Semiquinone R02364 NADPH + Hydrogen ion + 2 Quinone <> NADP +2 Semiquinone NADPH + Hydrogen ion + 2 Quinone <> NADP +2 Semiquinone