1.0 2010-04-08 22:11:43 UTC 2019-11-26 03:11:18 UTC FDB015217 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid Constituent of Rheum species 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is found in green vegetables. C11H8O5 220.1782 220.037173366 7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid 7-hydroxy-2-methyl-4-oxochromene-5-carboxylic acid CC1=CC(=O)C2=C(C=C(O)C=C2O1)C(O)=O InChI=1S/C11H8O5/c1-5-2-8(13)10-7(11(14)15)3-6(12)4-9(10)16-5/h2-4,12H,1H3,(H,14,15) ZCNVIPLKMDPDHM-UHFFFAOYSA-N belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. Chromones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Carboxylic acid Carboxylic acid derivative Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.63 ALOGPS logs -2.22 ALOGPS solubility 1.34e+00 g/l ALOGPS logp 1.23 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid ChemAxon average_mass 220.1782 ChemAxon mono_mass 220.037173366 ChemAxon smiles CC1=CC(=O)C2=C(C=C(O)C=C2O1)C(O)=O ChemAxon formula C11H8O5 ChemAxon inchi InChI=1S/C11H8O5/c1-5-2-8(13)10-7(11(14)15)3-6(12)4-9(10)16-5/h2-4,12H,1H3,(H,14,15) ChemAxon inchikey ZCNVIPLKMDPDHM-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 56.34 ChemAxon polarizability 20.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20868 Specdb::CMs 44828 Specdb::CMs 132213 Specdb::CMs 139947 Specdb::MsMs 44403 Specdb::MsMs 44404 Specdb::MsMs 44405 Specdb::MsMs 115401 Specdb::MsMs 115402 Specdb::MsMs 115403 Specdb::MsMs 2841039 Specdb::MsMs 2841040 Specdb::MsMs 2841041 Specdb::MsMs 2865216 Specdb::MsMs 2865217 Specdb::MsMs 2865218 HMDB36346 #<Reference:0x000055ce3265a968> Green vegetables Unknown generic