1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:17 UTC FDB010916 2-Benzoxazolone Found in rye seedlings 1,3-Benzoxazol-2(3H)-one 2-Benzoxaxolol 2-Benzoxazolinone, 8CI 2-Benzoxazolone 2-Hydroxy-benzoxazole 2-Hydroxybenzoxazole 2(3H)-Benzoxazolinone 2(3H)-Benzoxazolone, 9CI 3H-Benzooxazol-2-one Benzoxazolin-2-one Benzoxazolin-2(3H)-one Benzoxazolinone Benzoxazolone Carbamic acid, (2-hydroxyphenyl)-, gamma-lactone C7H5NO2 135.1201 135.032028409 2,3-dihydro-1,3-benzoxazol-2-one O-phenylene carbamate 59-49-4 O=C1NC2=CC=CC=C2O1 InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) ASSKVPFEZFQQNQ-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 Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Oxazoles Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzoxazolone Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazole logp 0.95 ALOGPS logs -0.92 ALOGPS solubility 1.62e+01 g/l ALOGPS melting_point Mp 141-142° logp 1.33 ChemAxon pka_strongest_acidic 9.48 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2,3-dihydro-1,3-benzoxazol-2-one ChemAxon average_mass 135.1201 ChemAxon mono_mass 135.032028409 ChemAxon smiles O=C1NC2=CC=CC=C2O1 ChemAxon formula C7H5NO2 ChemAxon inchi InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) ChemAxon inchikey ASSKVPFEZFQQNQ-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 36.26 ChemAxon polarizability 12.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10951 Specdb::CMs 174133 Specdb::MsIr 5806 Specdb::MsIr 5807 Specdb::MsIr 5808 Specdb::NmrOneD 116738 Specdb::NmrOneD 116739 Specdb::NmrOneD 116740 Specdb::NmrOneD 116741 Specdb::NmrOneD 116742 Specdb::NmrOneD 116743 Specdb::NmrOneD 116744 Specdb::NmrOneD 116745 Specdb::NmrOneD 116746 Specdb::NmrOneD 116747 Specdb::NmrOneD 116748 Specdb::NmrOneD 116749 Specdb::NmrOneD 116750 Specdb::NmrOneD 116751 Specdb::NmrOneD 116752 Specdb::NmrOneD 116753 Specdb::NmrOneD 116754 Specdb::NmrOneD 116755 Specdb::NmrOneD 116756 Specdb::NmrOneD 116757 Specdb::MsMs 75936 Specdb::MsMs 75937 Specdb::MsMs 75938 Specdb::MsMs 135660 Specdb::MsMs 135661 Specdb::MsMs 135662 Specdb::MsMs 2451937 Specdb::MsMs 2451938 Specdb::MsMs 2451939 Specdb::MsMs 2483356 Specdb::MsMs 2483357 Specdb::MsMs 2483358 HMDB32931 #<Reference:0x000055ce32350678> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal 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 Hard wheat Type 1 specific Triticum durum 4567 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 Rice Type 1 specific Oryza sativa 4530 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 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