1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:20 UTC FDB010936 5,7-Dihydroxy-4H-1-benzopyran-4-one Isolated from peanut shells. 5,7-Dihydroxy-4H-1-benzopyran-4-one is found in peanut and nuts. 4H-1-Benzopyran-4-one, 5,7-dihydroxy- 5,7-Dihydroxy-4-chromone 5,7-Dihydroxychromone C9H6O4 178.1415 178.02660868 5,7-dihydroxy-4H-chromen-4-one 5,7-dihydroxychromone 31721-94-5 OC1=CC(O)=C2C(=O)C=COC2=C1 InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H NYCXYKOXLNBYID-UHFFFAOYSA-N belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. Chromones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid chromones logp 1.33 ALOGPS logs -1.58 ALOGPS solubility 4.67e+00 g/l ALOGPS melting_point Mp 272-273° logp 1.71 ChemAxon pka_strongest_acidic 6.66 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 178.1415 ChemAxon mono_mass 178.02660868 ChemAxon smiles OC1=CC(O)=C2C(=O)C=COC2=C1 ChemAxon formula C9H6O4 ChemAxon inchi InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H ChemAxon inchikey NYCXYKOXLNBYID-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 45.25 ChemAxon polarizability 16.16 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12708 Specdb::CMs 43026 Specdb::CMs 162747 Specdb::MsIr 5830 Specdb::MsIr 5831 Specdb::MsIr 5832 Specdb::MsMs 61905 Specdb::MsMs 61906 Specdb::MsMs 61907 Specdb::MsMs 118527 Specdb::MsMs 118528 Specdb::MsMs 118529 Specdb::MsMs 2782093 Specdb::MsMs 2782094 Specdb::MsMs 2782095 Specdb::MsMs 2927245 Specdb::MsMs 2927246 Specdb::MsMs 2927247 Specdb::NmrOneD 116898 Specdb::NmrOneD 116899 Specdb::NmrOneD 116900 Specdb::NmrOneD 116901 Specdb::NmrOneD 116902 Specdb::NmrOneD 116903 Specdb::NmrOneD 116904 Specdb::NmrOneD 116905 Specdb::NmrOneD 116906 Specdb::NmrOneD 116907 Specdb::NmrOneD 116908 Specdb::NmrOneD 116909 Specdb::NmrOneD 116910 Specdb::NmrOneD 116911 Specdb::NmrOneD 116912 Specdb::NmrOneD 116913 Specdb::NmrOneD 116914 Specdb::NmrOneD 116915 Specdb::NmrOneD 116916 Specdb::NmrOneD 116917 HMDB32950 #<Reference:0x000055ce3187f438> Nuts Unknown generic Peanut Type 1 specific Arachis hypogaea 3818 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti feedant 275 Herbicide 986 A substance used to destroy plant pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.