1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:28 UTC FDB018667 6-Formylumbelliferone Constituent of Citrus medica (citron). 6-Formylumbelliferone is found in citrus. 6-Formyl-7-hydroxy-2H-1-benzopyran-2-one 6-Formyl-7-hydroxycoumarin 6-Formylumbelliferone C10H6O4 190.1522 190.02660868 7-hydroxy-2-oxo-2H-chromene-6-carbaldehyde 7-hydroxy-2-oxochromene-6-carbaldehyde OC1=C(C=O)C=C2C=CC(=O)OC2=C1 InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H YYVVBACXPUHKFH-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. 7-hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Aryl-aldehydes Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxycoumarin Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 1.45 ALOGPS logs -2.07 ALOGPS solubility 1.64e+00 g/l ALOGPS logp 1.84 ChemAxon pka_strongest_acidic 6.69 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 7-hydroxy-2-oxo-2H-chromene-6-carbaldehyde ChemAxon average_mass 190.1522 ChemAxon mono_mass 190.02660868 ChemAxon smiles OC1=C(C=O)C=C2C=CC(=O)OC2=C1 ChemAxon formula C10H6O4 ChemAxon inchi InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H ChemAxon inchikey YYVVBACXPUHKFH-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 50.11 ChemAxon polarizability 17.56 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8101 Specdb::MsIr 8102 Specdb::MsIr 8103 Specdb::CMs 10127 Specdb::CMs 46287 Specdb::CMs 170404 Specdb::MsMs 85020 Specdb::MsMs 85021 Specdb::MsMs 85022 Specdb::MsMs 147009 Specdb::MsMs 147010 Specdb::MsMs 147011 Specdb::MsMs 2344034 Specdb::MsMs 2344035 Specdb::MsMs 2344036 Specdb::MsMs 2595370 Specdb::MsMs 2595371 Specdb::MsMs 2595372 HMDB39147 #<Reference:0x000055ce3245b9a0> Citrus Unknown generic