1.0 2010-04-08 22:09:24 UTC 2019-11-26 03:04:25 UTC FDB010979 6-Methylumbelliferone Constituent of Trachyspermum roxburghianum (Bishop's weed). 6-Methylumbelliferone is found in herbs and spices. 6-Methylumbelliferone 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one 7-Hydroxy-6-methylcoumarin C10H8O3 176.1687 176.047344122 7-hydroxy-6-methyl-2H-chromen-2-one 7-hydroxy-6-methylchromen-2-one 53811-56-6 CC1=CC2=C(OC(=O)C=C2)C=C1O InChI=1S/C10H8O3/c1-6-4-7-2-3-10(12)13-9(7)5-8(6)11/h2-5,11H,1H3 QWQWBHZHRMHXOC-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 logp 2.02 ALOGPS logs -1.79 ALOGPS solubility 2.85e+00 g/l ALOGPS melting_point Mp 247-248° logp 1.99 ChemAxon pka_strongest_acidic 8.15 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 7-hydroxy-6-methyl-2H-chromen-2-one ChemAxon average_mass 176.1687 ChemAxon mono_mass 176.047344122 ChemAxon smiles CC1=CC2=C(OC(=O)C=C2)C=C1O ChemAxon formula C10H8O3 ChemAxon inchi InChI=1S/C10H8O3/c1-6-4-7-2-3-10(12)13-9(7)5-8(6)11/h2-5,11H,1H3 ChemAxon inchikey QWQWBHZHRMHXOC-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 48.57 ChemAxon polarizability 17.5 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 117298 Specdb::NmrOneD 117299 Specdb::NmrOneD 117300 Specdb::NmrOneD 117301 Specdb::NmrOneD 117302 Specdb::NmrOneD 117303 Specdb::NmrOneD 117304 Specdb::NmrOneD 117305 Specdb::NmrOneD 117306 Specdb::NmrOneD 117307 Specdb::NmrOneD 117308 Specdb::NmrOneD 117309 Specdb::NmrOneD 117310 Specdb::NmrOneD 117311 Specdb::NmrOneD 117312 Specdb::NmrOneD 117313 Specdb::NmrOneD 117314 Specdb::NmrOneD 117315 Specdb::NmrOneD 117316 Specdb::NmrOneD 117317 Specdb::MsIr 5883 Specdb::MsIr 5884 Specdb::MsIr 5885 Specdb::CMs 12650 Specdb::CMs 26942 Specdb::CMs 43041 Specdb::CMs 101289 Specdb::CMs 169523 Specdb::MsMs 56106 Specdb::MsMs 56107 Specdb::MsMs 56108 Specdb::MsMs 111453 Specdb::MsMs 111454 Specdb::MsMs 111455 Specdb::MsMs 2660599 Specdb::MsMs 2660600 Specdb::MsMs 2660601 Specdb::MsMs 3018891 Specdb::MsMs 3018892 Specdb::MsMs 3018893 HMDB32990 #<Reference:0x000055ce322813f0> Herbs and Spices Unknown generic