1.02010-04-08 22:09:22 UTC2019-11-26 03:04:20 UTCFDB0109385,7-DimethoxycoumarinFound in lime and bergamot oils5, 7-Dimethoxycoumarin5,7-Dimethoxy-2-benzopyrone5,7-Dimethoxy-2H-1-benzo-pyran-2-one5,7-Dimethoxy-2H-1-benzopyran-2-one5,7-Dimethoxy-2H-chromen-2-one5,7-Dimethoxy-coumarin5,7-Dimethoxycoumarin5,7-Dimethyloxy-2H-1-benzopyran-2-oneCitrapteneCitroptenCitropteneLimetinLimettinC11H10O4206.1947206.0579088085,7-dimethoxy-2H-chromen-2-onelimettin487-06-9COC1=CC(OC)=C2C=CC(=O)OC2=C1InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3NXJCRELRQHZBQA-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).Coumarins and derivativesOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesAromatic heteropolycyclic compounds1-benzopyransAlkyl aryl ethersAnisolesHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivatives1-benzopyranAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranCoumarinEtherHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranonelogp1.79logs-2.69solubility4.19e-01 g/lmelting_pointMp 147°logp1.47pka_strongest_basic-4.6iupac5,7-dimethoxy-2H-chromen-2-oneaverage_mass206.1947mono_mass206.057908808smilesCOC1=CC(OC)=C2C=CC(=O)OC2=C1formulaC11H10O4inchiInChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3inchikeyNXJCRELRQHZBQA-UHFFFAOYSA-Npolar_surface_area44.76refractivity54.48polarizability20.36rotatable_bond_count2acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsIr5836Specdb::MsIr5837Specdb::CMs24027Specdb::CMs148458Specdb::MsMs374609Specdb::MsMs451233Specdb::MsMs2243486Specdb::MsMs2244500Specdb::MsMs2245626Specdb::MsMs2246575Specdb::MsMs2247705Specdb::MsMs2248580Specdb::MsMs2249814Specdb::MsMs2250624Specdb::MsMs2251760Specdb::MsMs18689Specdb::MsMs18690Specdb::MsMs18691Specdb::MsMs2736290Specdb::MsMs2736291Specdb::MsMs2736292Specdb::MsMs12017Specdb::MsMs12018Specdb::MsMs12019Specdb::MsMs2968758Specdb::MsMs2968759Specdb::MsMs2968760HMDB32952#<Reference:0x000055567621ba70>CitrusUnknowngenericLemonType 1specificCitrus limon2708LimeType 1specificCitrus aurantiifolia159033