1.0 2010-04-08 22:09:24 UTC 2019-11-26 03:04:25 UTC FDB010983 3-Hydroxy-2H-pyran-2-one Component of brandy spirit. 3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages. 2H-pyran-2-one, 3-hydroxy- 2H-Pyran-4-one, 3-hydroxy- 3-hydroxy-2-pyranone 3-Hydroxy-2-pyrone 3-Hydroxy-2H-pyran-4-one 3-Hydroxy-a-pyrone 3-hydroxypyrone Hydroxycoumalin Isopyromucic acid C5H4O3 112.0835 112.016043994 3-hydroxy-2H-pyran-2-one 2H-pyran-2-one, 3-hydroxy- 496-64-0 OC1=CC=COC1=O InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H LIPRKYKMVQPYPG-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyranone logp 0.12 ALOGPS logs 0.14 ALOGPS solubility 1.53e+02 g/l ALOGPS melting_point Mp 92° logp 0.5 ChemAxon pka_strongest_acidic 10.36 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 3-hydroxy-2H-pyran-2-one ChemAxon average_mass 112.0835 ChemAxon mono_mass 112.016043994 ChemAxon smiles OC1=CC=COC1=O ChemAxon formula C5H4O3 ChemAxon inchi InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H ChemAxon inchikey LIPRKYKMVQPYPG-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 28.06 ChemAxon polarizability 9.53 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24122 Specdb::CMs 43044 Specdb::CMs 165087 Specdb::MsMs 109950 Specdb::MsMs 109951 Specdb::MsMs 109952 Specdb::MsMs 177504 Specdb::MsMs 177505 Specdb::MsMs 177506 Specdb::MsMs 2346281 Specdb::MsMs 2346282 Specdb::MsMs 2346283 Specdb::MsMs 2592790 Specdb::MsMs 2592791 Specdb::MsMs 2592792 Specdb::MsIr 5891 Specdb::MsIr 5892 Specdb::MsIr 5893 HMDB32994 #<Reference:0x000055ce332a6c30> Alcoholic beverages Unknown generic