1.0 2010-04-08 22:09:52 UTC 2025-11-18 23:31:37 UTC FDB011857 2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one Isolated 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)-one 2,4-Dihydroxy-1,4-benzoxazin-3-one 2,4-Dihydroxy-1,4-benzoxazinone 2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dihydroxy- DIBOA C8H7NO4 181.1455 181.037507717 2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one diboa 17359-54-5 OC1OC2=CC=CC=C2N(O)C1=O InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H COVOPZQGJGUPEY-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. Benzoxazinones Organic compounds Organoheterocyclic compounds Benzoxazines Benzoxazinones Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Benzomorpholines Carbonyl compounds Hemiacetals Hydrocarbon derivatives Hydroxamic acids Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Azacycle Benzenoid Benzomorpholine Benzoxazinone Carbonyl group Carboxylic acid derivative Hemiacetal Hydrocarbon derivative Hydroxamic acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane benzoxazine cyclic hydroxamic acid lactol logp -0.08 ALOGPS logs -0.19 ALOGPS solubility 1.16e+02 g/l ALOGPS melting_point Mp 152° logp 0.1 ChemAxon pka_strongest_acidic 7.89 ChemAxon pka_strongest_basic -5 ChemAxon iupac 2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 181.1455 ChemAxon mono_mass 181.037507717 ChemAxon smiles OC1OC2=CC=CC=C2N(O)C1=O ChemAxon formula C8H7NO4 ChemAxon inchi InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H ChemAxon inchikey COVOPZQGJGUPEY-UHFFFAOYSA-N ChemAxon polar_surface_area 70 ChemAxon refractivity 42.01 ChemAxon polarizability 16.18 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6227 Specdb::MsIr 6228 Specdb::CMs 25324 Specdb::CMs 43471 Specdb::CMs 161223 Specdb::NmrOneD 121838 Specdb::NmrOneD 121839 Specdb::NmrOneD 121840 Specdb::NmrOneD 121841 Specdb::NmrOneD 121842 Specdb::NmrOneD 121843 Specdb::NmrOneD 121844 Specdb::NmrOneD 121845 Specdb::NmrOneD 121846 Specdb::NmrOneD 121847 Specdb::NmrOneD 121848 Specdb::NmrOneD 121849 Specdb::NmrOneD 121850 Specdb::NmrOneD 121851 Specdb::NmrOneD 121852 Specdb::NmrOneD 121853 Specdb::NmrOneD 121854 Specdb::NmrOneD 121855 Specdb::NmrOneD 121856 Specdb::NmrOneD 121857 Specdb::MsMs 99831 Specdb::MsMs 99832 Specdb::MsMs 99833 Specdb::MsMs 165027 Specdb::MsMs 165028 Specdb::MsMs 165029 Specdb::MsMs 2231821 Specdb::MsMs 2232354 Specdb::MsMs 2234256 Specdb::MsMs 2234703 Specdb::MsMs 2404313 Specdb::MsMs 2404314 Specdb::MsMs 2404315 Specdb::MsMs 2534691 Specdb::MsMs 2534692 Specdb::MsMs 2534693 HMDB33733 #<Reference:0x000055ce30248070> #<Reference:0x000055ce30247e68> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic