1.0 2026-09-21 20:57:41 UTC 2026-09-21 20:57:41 UTC FDB117089 4-methylumbelliferone 7-hydroxy-4-methyl-chromen-2-one 7-hydroxy-4-methylchromen-2-one C10H8O3 176.1687 176.047344122 7-hydroxy-4-methyl-2H-chromen-2-one 4-methylumbelliferone CC1=CC(=O)OC2=C1C=CC(O)=C2 InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 HSHNITRMYYLLCV-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 Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone a small molecule hydroxycoumarin logp 2.19 ALOGPS logs -1.95 ALOGPS solubility 1.99e+00 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -7 ChemAxon iupac 7-hydroxy-4-methyl-2H-chromen-2-one ChemAxon average_mass 176.1687 ChemAxon mono_mass 176.047344122 ChemAxon smiles CC1=CC(=O)OC2=C1C=CC(O)=C2 ChemAxon formula C10H8O3 ChemAxon inchi InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 ChemAxon inchikey HSHNITRMYYLLCV-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 47.81 ChemAxon polarizability 17.42 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9512 Specdb::MsIr 9513 Specdb::MsIr 9514 Specdb::NmrOneD 51622 Specdb::NmrOneD 51623 Specdb::NmrOneD 51624 Specdb::NmrOneD 51625 Specdb::NmrOneD 51626 Specdb::NmrOneD 51627 Specdb::NmrOneD 51628 Specdb::NmrOneD 51629 Specdb::NmrOneD 51630 Specdb::NmrOneD 51631 Specdb::NmrOneD 51632 Specdb::NmrOneD 51633 Specdb::NmrOneD 51634 Specdb::NmrOneD 51635 Specdb::NmrOneD 51636 Specdb::NmrOneD 51637 Specdb::NmrOneD 51638 Specdb::NmrOneD 51639 Specdb::NmrOneD 51640 Specdb::NmrOneD 51641 Specdb::CMs 3234 Specdb::CMs 26940 Specdb::CMs 27951 Specdb::CMs 30170 Specdb::CMs 30259 Specdb::CMs 30260 Specdb::CMs 30261 Specdb::CMs 30818 Specdb::CMs 30828 Specdb::CMs 31869 Specdb::CMs 47820 Specdb::CMs 102325 Specdb::CMs 102326 Specdb::CMs 102327 Specdb::CMs 102328 Specdb::CMs 102329 Specdb::CMs 102330 Specdb::CMs 102331 Specdb::CMs 102332 Specdb::CMs 102333 Specdb::CMs 174914 Specdb::MsMs 69909 Specdb::MsMs 69910 Specdb::MsMs 69911 Specdb::MsMs 128289 Specdb::MsMs 128290 Specdb::MsMs 128291 Specdb::MsMs 285767 Specdb::MsMs 285768 Specdb::MsMs 373683 Specdb::MsMs 373684 Specdb::MsMs 374119 Specdb::MsMs 374120 Specdb::MsMs 439014 Specdb::MsMs 439026 Specdb::MsMs 439027 Specdb::MsMs 439368 Specdb::MsMs 439369 Specdb::MsMs 439370 Specdb::MsMs 439371 Specdb::MsMs 439561 Specdb::MsMs 439562 Specdb::MsMs 440221 Specdb::MsMs 447911 Specdb::MsMs 447935 Specdb::MsMs 449147