1.0 2010-04-08 22:12:33 UTC 2019-11-26 03:13:32 UTC FDB016631 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one Constituent of wheat and sweet corn. 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils. 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one, 9CI C10H11NO6 241.1974 241.058637089 2,4-dihydroxy-7,8-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one 2,4-dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3-one 60032-92-0 COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(O)O2 InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3 VBXNJRCPOOQJML-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 Alkyl aryl ethers Anisoles Azacyclic compounds Benzomorpholines Carbonyl compounds Hemiacetals Hydrocarbon derivatives Hydroxamic acids Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzomorpholine Benzoxazinone Carbonyl group Carboxylic acid derivative Ether Hemiacetal Hydrocarbon derivative Hydroxamic acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane logp 0.01 ALOGPS logs -1.48 ALOGPS solubility 7.93e+00 g/l ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 7.74 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2,4-dihydroxy-7,8-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 241.1974 ChemAxon mono_mass 241.058637089 ChemAxon smiles COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(O)O2 ChemAxon formula C10H11NO6 ChemAxon inchi InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3 ChemAxon inchikey VBXNJRCPOOQJML-UHFFFAOYSA-N ChemAxon polar_surface_area 88.46 ChemAxon refractivity 54.93 ChemAxon polarizability 22.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48198 Specdb::MsMs 48199 Specdb::MsMs 48200 Specdb::MsMs 116340 Specdb::MsMs 116341 Specdb::MsMs 116342 Specdb::MsMs 2391604 Specdb::MsMs 2391605 Specdb::MsMs 2391606 Specdb::MsMs 2570600 Specdb::MsMs 2570601 Specdb::MsMs 2570602 Specdb::CMs 19672 Specdb::CMs 45452 Specdb::CMs 148790 Specdb::NmrOneD 141650 Specdb::NmrOneD 141651 Specdb::NmrOneD 141652 Specdb::NmrOneD 141653 Specdb::NmrOneD 141654 Specdb::NmrOneD 141655 Specdb::NmrOneD 141656 Specdb::NmrOneD 141657 Specdb::NmrOneD 141658 Specdb::NmrOneD 141659 Specdb::NmrOneD 141660 Specdb::NmrOneD 141661 Specdb::NmrOneD 141662 Specdb::NmrOneD 141663 Specdb::NmrOneD 141664 Specdb::NmrOneD 141665 Specdb::NmrOneD 141666 Specdb::NmrOneD 141667 Specdb::NmrOneD 141668 Specdb::NmrOneD 141669 HMDB37549 #<Reference:0x000055ce31f74220> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic