1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:59 UTC FDB016281 (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one Isolated from sweet corn (Zea mays). (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils. (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one, 9CI HDMBOA C10H11NO5 225.198 225.063722467 2-hydroxy-4,7-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one 2-hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3-one 149182-67-2 CON1C(=O)C(O)OC2=C1C=CC(OC)=C2 InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3 XCSFLMDXLJMLBA-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 Carboxylic acids and derivatives Hemiacetals Hydrocarbon derivatives 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 Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane logp 0.35 ALOGPS logs -1.15 ALOGPS solubility 1.61e+01 g/l ALOGPS logp 0.32 ChemAxon pka_strongest_acidic 10 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2-hydroxy-4,7-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 225.198 ChemAxon mono_mass 225.063722467 ChemAxon smiles CON1C(=O)C(O)OC2=C1C=CC(OC)=C2 ChemAxon formula C10H11NO5 ChemAxon inchi InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3 ChemAxon inchikey XCSFLMDXLJMLBA-UHFFFAOYSA-N ChemAxon polar_surface_area 68.23 ChemAxon refractivity 52.95 ChemAxon polarizability 21.28 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14853 Specdb::CMs 45293 Specdb::CMs 150950 Specdb::NmrOneD 139790 Specdb::NmrOneD 139791 Specdb::NmrOneD 139792 Specdb::NmrOneD 139793 Specdb::NmrOneD 139794 Specdb::NmrOneD 139795 Specdb::NmrOneD 139796 Specdb::NmrOneD 139797 Specdb::NmrOneD 139798 Specdb::NmrOneD 139799 Specdb::NmrOneD 139800 Specdb::NmrOneD 139801 Specdb::NmrOneD 139802 Specdb::NmrOneD 139803 Specdb::NmrOneD 139804 Specdb::NmrOneD 139805 Specdb::NmrOneD 139806 Specdb::NmrOneD 139807 Specdb::NmrOneD 139808 Specdb::NmrOneD 139809 Specdb::MsMs 71607 Specdb::MsMs 71608 Specdb::MsMs 71609 Specdb::MsMs 130311 Specdb::MsMs 130312 Specdb::MsMs 130313 Specdb::MsMs 2244676 Specdb::MsMs 2245420 Specdb::MsMs 2246764 Specdb::MsMs 2247541 Specdb::MsMs 2679163 Specdb::MsMs 2679164 Specdb::MsMs 2679165 Specdb::MsMs 3025854 Specdb::MsMs 3025855 Specdb::MsMs 3025856 HMDB37264 #<Reference:0x000055ce3244b690> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic