1.0 2010-04-08 22:05:58 UTC 2025-11-18 22:54:04 UTC FDB003829 4-Methylaesculetin 4-methylaesculetin, also known as 6,7-dihydroxy-4-methylcoumarin or dhmc-6,7, is a member of the class of compounds known as 6,7-dihydroxycoumarins. 6,7-dihydroxycoumarins are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively. 4-methylaesculetin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-methylaesculetin can be found in dill, which makes 4-methylaesculetin a potential biomarker for the consumption of this food product. C10H8O4 192.17 192.042258738 6,7-dihydroxy-4-methyl-2H-chromen-2-one 6,7-dihydroxy-4-methylcoumarin CC1=CC(=O)OC2=C1C=C(O)C(O)=C2 InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3 KVOJTUXGYQVLAJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively. 6,7-dihydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 7-hydroxycoumarins Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 6,7-dihydroxycoumarin 7-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.68 ALOGPS logs -1.92 ALOGPS solubility 2.31e+00 g/l ALOGPS logp 1.48 ChemAxon pka_strongest_acidic 7.88 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 6,7-dihydroxy-4-methyl-2H-chromen-2-one ChemAxon average_mass 192.17 ChemAxon mono_mass 192.042258738 ChemAxon smiles CC1=CC(=O)OC2=C1C=C(O)C(O)=C2 ChemAxon formula C10H8O4 ChemAxon inchi InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3 ChemAxon inchikey KVOJTUXGYQVLAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 49.79 ChemAxon polarizability 18.36 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 11585 Specdb::MsIr 11586 Specdb::MsIr 11587 Specdb::MsMs 102390 Specdb::MsMs 102391 Specdb::MsMs 102392 Specdb::MsMs 168201 Specdb::MsMs 168202 Specdb::MsMs 168203 Specdb::MsMs 2450878 Specdb::MsMs 2450879 Specdb::MsMs 2450880 Specdb::MsMs 2487366 Specdb::MsMs 2487367 Specdb::MsMs 2487368 Specdb::CMs 56877 Specdb::CMs 64261 Specdb::CMs 168680 Dill Type 1 specific Anethum graveolens 40922