1.0 2026-09-21 19:18:08 UTC 2026-09-21 19:18:08 UTC FDB116958 Moniliformin 3-hydroxycyclobut-3-ene-1,2-dione C4H2O3 98.0569 98.00039393 3-hydroxycyclobut-3-ene-1,2-dione moniliformin OC1=CC(=O)C1=O InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1,5H KGPQKNJSZNXOPV-UHFFFAOYSA-N belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. Vinylogous acids Organic compounds Organic acids and derivatives Vinylogous acids Aromatic homomonocyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aromatic homomonocyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid logp -0.21 ALOGPS logs 0.19 ALOGPS solubility 1.50e+02 g/l ALOGPS logp 0.28 ChemAxon pka_strongest_acidic 6.32 ChemAxon pka_strongest_basic -5 ChemAxon iupac 3-hydroxycyclobut-3-ene-1,2-dione ChemAxon average_mass 98.0569 ChemAxon mono_mass 98.00039393 ChemAxon smiles OC1=CC(=O)C1=O ChemAxon formula C4H2O3 ChemAxon inchi InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1,5H ChemAxon inchikey KGPQKNJSZNXOPV-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 22.83 ChemAxon polarizability 8.09 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 108156 Specdb::CMs 120668 Specdb::CMs 935701 Specdb::CMs 935702 Specdb::MsMs 68757 Specdb::MsMs 68758 Specdb::MsMs 68759 Specdb::MsMs 126864 Specdb::MsMs 126865 Specdb::MsMs 126866 Specdb::MsMs 2241153 Specdb::MsMs 3445273 Specdb::MsMs 3445274 Specdb::MsMs 3445275 Specdb::NmrOneD 221817 Specdb::NmrOneD 221818 Specdb::NmrOneD 221819 Specdb::NmrOneD 221820 Specdb::NmrOneD 221821 Specdb::NmrOneD 221822 Specdb::NmrOneD 221823 Specdb::NmrOneD 221824 Specdb::NmrOneD 221825 Specdb::NmrOneD 221826 Specdb::NmrOneD 221827 Specdb::NmrOneD 221828 Specdb::NmrOneD 221829 Specdb::NmrOneD 221830 Specdb::NmrOneD 221831 Specdb::NmrOneD 221832 Specdb::NmrOneD 221833 Specdb::NmrOneD 221834 Specdb::NmrOneD 221835 Specdb::NmrOneD 221836