1.0 2010-04-08 22:12:33 UTC 2019-11-26 03:13:32 UTC FDB016630 2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one Constituent of sweet corn (Zea mays). 2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products, fats and oils, and corn. 2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one, 9CI C10H11NO6 241.1974 241.058637089 2,4-dihydroxy-6,7-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one 2,4-dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3-one 67467-45-2 COC1=C(OC)C=C2N(O)C(=O)C(O)OC2=C1 InChI=1S/C10H11NO6/c1-15-7-3-5-6(4-8(7)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3 VVCAIBZWJDJGJQ-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 0.08 ALOGPS logs -1.48 ALOGPS solubility 7.90e+00 g/l ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 7.71 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2,4-dihydroxy-6,7-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)C=C2N(O)C(=O)C(O)OC2=C1 ChemAxon formula C10H11NO6 ChemAxon inchi InChI=1S/C10H11NO6/c1-15-7-3-5-6(4-8(7)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3 ChemAxon inchikey VVCAIBZWJDJGJQ-UHFFFAOYSA-N ChemAxon polar_surface_area 88.46 ChemAxon refractivity 54.93 ChemAxon polarizability 22.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17261 Specdb::CMs 45451 Specdb::CMs 160777 Specdb::MsMs 62007 Specdb::MsMs 62008 Specdb::MsMs 62009 Specdb::MsMs 118656 Specdb::MsMs 118657 Specdb::MsMs 118658 Specdb::MsMs 3035264 Specdb::MsMs 3035265 Specdb::MsMs 3035266 Specdb::MsMs 3105068 Specdb::MsMs 3105069 Specdb::MsMs 3105070 Specdb::NmrOneD 141630 Specdb::NmrOneD 141631 Specdb::NmrOneD 141632 Specdb::NmrOneD 141633 Specdb::NmrOneD 141634 Specdb::NmrOneD 141635 Specdb::NmrOneD 141636 Specdb::NmrOneD 141637 Specdb::NmrOneD 141638 Specdb::NmrOneD 141639 Specdb::NmrOneD 141640 Specdb::NmrOneD 141641 Specdb::NmrOneD 141642 Specdb::NmrOneD 141643 Specdb::NmrOneD 141644 Specdb::NmrOneD 141645 Specdb::NmrOneD 141646 Specdb::NmrOneD 141647 Specdb::NmrOneD 141648 Specdb::NmrOneD 141649 HMDB37548 #<Reference:0x000055ce3065a000> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic