1.0 2026-09-22 20:34:22 UTC 2026-09-22 20:34:22 UTC FDB118840 Tropolone 2-hydroxycyclohepta-2,4,6-trien-1-one C7H6O2 122.1213 122.036779436 2-hydroxycyclohepta-2,4,6-trien-1-one tropolone OC1=CC=CC=CC1=O InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) MDYOLVRUBBJPFM-UHFFFAOYSA-N belongs to the class of organic compounds known as tropolones. Tropolones are compounds containing tropone ring with a hydroxyl group at ring position 2. Tropolones Organic compounds Hydrocarbon derivatives Tropones Tropolones Aromatic homomonocyclic compounds Cyclic ketones Organic oxides Aromatic homomonocyclic compound Cyclic ketone Organic oxide Organic oxygen compound Organooxygen compound Tropolone cyclic ketone logp 0.07 ALOGPS logs -0.71 ALOGPS solubility 2.36e+01 g/l ALOGPS logp 1.09 ChemAxon pka_strongest_acidic 11.26 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-hydroxycyclohepta-2,4,6-trien-1-one ChemAxon average_mass 122.1213 ChemAxon mono_mass 122.036779436 ChemAxon smiles OC1=CC=CC=CC1=O ChemAxon formula C7H6O2 ChemAxon inchi InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) ChemAxon inchikey MDYOLVRUBBJPFM-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 38.12 ChemAxon polarizability 11.89 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90678 Specdb::MsMs 90679 Specdb::MsMs 90680 Specdb::MsMs 153897 Specdb::MsMs 153898 Specdb::MsMs 153899 Specdb::CMs 103627 Specdb::CMs 106106 Specdb::CMs 118262 Specdb::CMs 993587 Specdb::NmrOneD 241288 Specdb::NmrOneD 241289 Specdb::NmrOneD 241290 Specdb::NmrOneD 241291 Specdb::NmrOneD 241292 Specdb::NmrOneD 241293 Specdb::NmrOneD 241294 Specdb::NmrOneD 241295 Specdb::NmrOneD 241296 Specdb::NmrOneD 241297 Specdb::NmrOneD 241298 Specdb::NmrOneD 241299 Specdb::NmrOneD 241300 Specdb::NmrOneD 241301 Specdb::NmrOneD 241302 Specdb::NmrOneD 241303 Specdb::NmrOneD 241304 Specdb::NmrOneD 241305 Specdb::NmrOneD 241306 Specdb::NmrOneD 241307