1.0 2010-04-08 22:11:52 UTC 2019-11-26 03:11:41 UTC FDB015492 6-Methoxy-2(3H)-benzoxazolone Isolated from roots of Coix lacryma jobi (Job's tears) and from seedlings of wheat, corn and rye. 6-Methoxy-2(3H)-benzoxazolone is found in many foods, some of which are cereals and cereal products, corn, alcoholic beverages, and coffee and coffee products. 2(3H)-Benzoxazolone, 6-methoxy- (9CI) 6-MBOA 6-Methoxy-1,3-benzoxazol-2(3H)-one 6-METHOXY-2-benzoxazolinone 6-Methoxy-2-benzoxazolinone, 8CI 6-Methoxy-3H-benzooxazol-2-one 6-Methoxy-benzoxazolin-2(3H)-one 6-Methoxybenzoxazolin-2(3H)-one 6-Methoxybenzoxazolinone Coixol MBOA C8H7NO3 165.1461 165.042593095 6-methoxy-2,3-dihydro-1,3-benzoxazol-2-one 6-methoxy-3H-1,3-benzoxazol-2-one 532-91-2 COC1=CC=C2NC(=O)OC2=C1 InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10) MKMCJLMBVKHUMS-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. Benzoxazolones Organic compounds Organoheterocyclic compounds Benzoxazoles Benzoxazolones Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxazoles Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzoxazolone Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazole logp 1.21 ALOGPS logs -1.21 ALOGPS solubility 1.01e+01 g/l ALOGPS melting_point Mp 160-161° (154-155°) logp 1.17 ChemAxon pka_strongest_acidic 9.66 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 6-methoxy-2,3-dihydro-1,3-benzoxazol-2-one ChemAxon average_mass 165.1461 ChemAxon mono_mass 165.042593095 ChemAxon smiles COC1=CC=C2NC(=O)OC2=C1 ChemAxon formula C8H7NO3 ChemAxon inchi InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10) ChemAxon inchikey MKMCJLMBVKHUMS-UHFFFAOYSA-N ChemAxon polar_surface_area 47.56 ChemAxon refractivity 42.73 ChemAxon polarizability 15.7 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1628 Specdb::CMs 16514 Specdb::CMs 131173 Specdb::CMs 138907 Specdb::MsIr 7285 Specdb::MsIr 7286 Specdb::MsIr 7287 Specdb::MsMs 73170 Specdb::MsMs 73171 Specdb::MsMs 73172 Specdb::MsMs 132276 Specdb::MsMs 132277 Specdb::MsMs 132278 Specdb::MsMs 2228682 Specdb::MsMs 2375831 Specdb::MsMs 2375832 Specdb::MsMs 2375833 Specdb::MsMs 2559981 Specdb::MsMs 2559982 Specdb::MsMs 2559983 Specdb::NmrOneD 136530 Specdb::NmrOneD 136531 Specdb::NmrOneD 136532 Specdb::NmrOneD 136533 Specdb::NmrOneD 136534 Specdb::NmrOneD 136535 Specdb::NmrOneD 136536 Specdb::NmrOneD 136537 Specdb::NmrOneD 136538 Specdb::NmrOneD 136539 Specdb::NmrOneD 136540 Specdb::NmrOneD 136541 Specdb::NmrOneD 136542 Specdb::NmrOneD 136543 Specdb::NmrOneD 136544 Specdb::NmrOneD 136545 Specdb::NmrOneD 136546 Specdb::NmrOneD 136547 Specdb::NmrOneD 136548 Specdb::NmrOneD 136549 HMDB36582 #<Reference:0x000055ce32312710> Alcoholic beverages Unknown generic Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Arabica coffee Type 1 specific Coffea arabica 13443 Barley Type 1 specific Hordeum vulgare 4513 Black tea Type 1 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Green tea Type 1 Hard wheat Type 1 specific Triticum durum 4567 Herbal tea Type 1 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Red tea Type 1 Rice Type 1 specific Oryza sativa 4530 Robusta coffee Type 1 specific Coffea canephora 49390 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Tea Type 1 specific Camellia sinensis 4442 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949 Anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Anti pyretic 567 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Tranquilizer 1373