1.0 2010-04-08 22:10:52 UTC 2018-05-29 01:07:17 UTC FDB013724 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one It is used in nut food flavouring 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl- 4-Methyl-7-ethoxycoumarin 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one 7-Ethoxy-4-methyl-2H-chromen-2-one 7-Ethoxy-4-methyl-coumarin 7-Ethoxy-4-methylcoumarin Coumarin, 7-ethoxy-4-methyl- Coumarin, 7-ethoxy-4-methyl- (8CI) Ethoxy resocyanin Ethyl 4-methylumbelliferyl ether Madescol Maraniol C12H12O3 204.2219 204.07864425 7-ethoxy-4-methyl-2H-chromen-2-one 7-ethoxy-4-methylchromen-2-one 87-05-8 CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2 InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3 NKRISXMDKXBVRJ-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 derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 2.79 ALOGPS logs -2.96 ALOGPS solubility 2.24e-01 g/l ALOGPS melting_point Mp 114° (95°) logp 2.28 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 7-ethoxy-4-methyl-2H-chromen-2-one ChemAxon average_mass 204.2219 ChemAxon mono_mass 204.07864425 ChemAxon smiles CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2 ChemAxon formula C12H12O3 ChemAxon inchi InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3 ChemAxon inchikey NKRISXMDKXBVRJ-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 57.04 ChemAxon polarizability 21.75 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6802 Specdb::MsIr 6803 Specdb::CMs 14303 Specdb::CMs 137962 Specdb::CMs 145696 Specdb::MsMs 43632 Specdb::MsMs 43633 Specdb::MsMs 43634 Specdb::MsMs 158667 Specdb::MsMs 158668 Specdb::MsMs 158669 Specdb::MsMs 2429452 Specdb::MsMs 2429453 Specdb::MsMs 2429454 Specdb::MsMs 2505848 Specdb::MsMs 2505849 Specdb::MsMs 2505850 HMDB35095 #<Reference:0x000055ce3330b428> nutty walnut