1.02010-04-08 22:09:52 UTC2019-11-26 03:05:35 UTCFDB0118572,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-oneIsolated from seedlings of rye and sweet corn (Zea mays). 2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils.2,4-Dihydroxy-1,4-benzoxanzin-3(4H)-one2,4-Dihydroxy-1,4-benzoxazin-3-one2,4-Dihydroxy-1,4-benzoxazinone2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one2H-1,4-Benzoxazin-3(4H)-one, 2,4-dihydroxy-DIBOAC8H7NO4181.1455181.0375077172,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-onediboa17359-54-5OC1OC2=CC=CC=C2N(O)C1=OInChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12HCOVOPZQGJGUPEY-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.BenzoxazinonesOrganic compoundsOrganoheterocyclic compoundsBenzoxazinesBenzoxazinonesAromatic heteropolycyclic compoundsAzacyclic compoundsBenzenoidsBenzomorpholinesCarbonyl compoundsHemiacetalsHydrocarbon derivativesHydroxamic acidsOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsOxacyclic compoundsAromatic heteropolycyclic compoundAzacycleBenzenoidBenzomorpholineBenzoxazinoneCarbonyl groupCarboxylic acid derivativeHemiacetalHydrocarbon derivativeHydroxamic acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacycleOxazinanebenzoxazinecyclic hydroxamic acidlactollogp-0.08logs-0.19solubility1.16e+02 g/lmelting_pointMp 152°logp0.1pka_strongest_acidic7.89pka_strongest_basic-5iupac2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-oneaverage_mass181.1455mono_mass181.037507717smilesOC1OC2=CC=CC=C2N(O)C1=OformulaC8H7NO4inchiInChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12HinchikeyCOVOPZQGJGUPEY-UHFFFAOYSA-Npolar_surface_area70refractivity42.01polarizability16.18rotatable_bond_count0acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::NmrOneD121838Specdb::NmrOneD121839Specdb::NmrOneD121840Specdb::NmrOneD121841Specdb::NmrOneD121842Specdb::NmrOneD121843Specdb::NmrOneD121844Specdb::NmrOneD121845Specdb::NmrOneD121846Specdb::NmrOneD121847Specdb::NmrOneD121848Specdb::NmrOneD121849Specdb::NmrOneD121850Specdb::NmrOneD121851Specdb::NmrOneD121852Specdb::NmrOneD121853Specdb::NmrOneD121854Specdb::NmrOneD121855Specdb::NmrOneD121856Specdb::NmrOneD121857Specdb::MsIr6227Specdb::MsIr6228Specdb::CMs25324Specdb::CMs43471Specdb::CMs161223Specdb::MsMs99831Specdb::MsMs99832Specdb::MsMs99833Specdb::MsMs165027Specdb::MsMs165028Specdb::MsMs165029Specdb::MsMs2231821Specdb::MsMs2232354Specdb::MsMs2234256Specdb::MsMs2234703Specdb::MsMs2404313Specdb::MsMs2404314Specdb::MsMs2404315Specdb::MsMs2534691Specdb::MsMs2534692Specdb::MsMs2534693HMDB33733#<Reference:0x0000555674855f00>#<Reference:0x0000555674855d48>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericFats and oilsUnknowngeneric