1.0 2010-04-08 22:09:43 UTC 2018-05-28 22:52:02 UTC FDB011572 5,6-Dihydro-4-methoxy-2H-pyran-2-one Mycotoxin production by Penicillium italicum. C6H8O3 128.1259 128.047344122 4-methoxy-5,6-dihydro-2H-pyran-2-one 4-methoxy-5,6-dihydropyran-2-one 83920-64-3 COC1=CC(=O)OCC1 InChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3 MEZHTUKDGVTUCD-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Dihydropyranones Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aliphatic heteromonocyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous esters Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydropyranone Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous ester logp 0.39 ALOGPS logs -0.18 ALOGPS solubility 8.51e+01 g/l ALOGPS melting_point Mp 77° logp 0.039 ChemAxon pka_strongest_acidic 16.34 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 4-methoxy-5,6-dihydro-2H-pyran-2-one ChemAxon average_mass 128.1259 ChemAxon mono_mass 128.047344122 ChemAxon smiles COC1=CC(=O)OCC1 ChemAxon formula C6H8O3 ChemAxon inchi InChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3 ChemAxon inchikey MEZHTUKDGVTUCD-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 32.76 ChemAxon polarizability 12.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9602 Specdb::CMs 145867 Specdb::MsIr 6113 Specdb::MsIr 6114 Specdb::MsMs 110223 Specdb::MsMs 110224 Specdb::MsMs 110225 Specdb::MsMs 177846 Specdb::MsMs 177847 Specdb::MsMs 177848 Specdb::MsMs 2720973 Specdb::MsMs 2720974 Specdb::MsMs 2720975 Specdb::MsMs 2958387 Specdb::MsMs 2958388 Specdb::MsMs 2958389 Specdb::NmrOneD 120398 Specdb::NmrOneD 120399 Specdb::NmrOneD 120400 Specdb::NmrOneD 120401 Specdb::NmrOneD 120402 Specdb::NmrOneD 120403 Specdb::NmrOneD 120404 Specdb::NmrOneD 120405 Specdb::NmrOneD 120406 Specdb::NmrOneD 120407 Specdb::NmrOneD 120408 Specdb::NmrOneD 120409 Specdb::NmrOneD 120410 Specdb::NmrOneD 120411 Specdb::NmrOneD 120412 Specdb::NmrOneD 120413 Specdb::NmrOneD 120414 Specdb::NmrOneD 120415 Specdb::NmrOneD 120416 Specdb::NmrOneD 120417 HMDB33517 #<Reference:0x000055ce323e4f30>