1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:02 UTC FDB014434 Aloesol Constituent of Aloe subspecies and Chinese rhubarb. Aloesol is found in green vegetables. 7-Hydroxy-2-(2-hydroxypropyl)-5-methyl-4H-1-benzopyran-4-one, 9CI 7-Hydroxy-2-(2-hydroxypropyl)-5-methylchromone C13H14O4 234.2479 234.089208936 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4H-chromen-4-one 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one 94356-35-1 CC(O)CC1=CC(=O)C2=C(O1)C=C(O)C=C2C InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3 ZYCNQWOKCMJKEZ-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 Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol logp 1.65 ALOGPS logs -2.56 ALOGPS solubility 6.46e-01 g/l ALOGPS melting_point Mp 187.5-189° logp 1.51 ChemAxon pka_strongest_acidic 6.64 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4H-chromen-4-one ChemAxon average_mass 234.2479 ChemAxon mono_mass 234.089208936 ChemAxon smiles CC(O)CC1=CC(=O)C2=C(O1)C=C(O)C=C2C ChemAxon formula C13H14O4 ChemAxon inchi InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3 ChemAxon inchikey ZYCNQWOKCMJKEZ-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 64.96 ChemAxon polarizability 24.51 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21040 Specdb::CMs 44517 Specdb::CMs 147730 Specdb::MsMs 76584 Specdb::MsMs 76585 Specdb::MsMs 76586 Specdb::MsMs 136449 Specdb::MsMs 136450 Specdb::MsMs 136451 Specdb::MsMs 2733798 Specdb::MsMs 2733799 Specdb::MsMs 2733800 Specdb::MsMs 2971716 Specdb::MsMs 2971717 Specdb::MsMs 2971718 HMDB35712 #<Reference:0x000055ce316b62a0> Green vegetables Unknown generic