1.0 2010-04-08 22:04:44 UTC 2015-07-20 21:34:53 UTC FDB000833 2',4'-Dihydroxyacetophenone Potential component of FEMA 3662. Flavouring ingredient 1-(2,4-Dihydroxyphenyl)-ethanone 1-(2,4-Dihydroxyphenyl)ethanone, 9CI 2,4-Dihydroxyacetophenone 2',4'-Dihydroxy-acetophenone 4-Acetyl-1,3-benzenediol 4-Acetyl-resorcinol 4-Acetylresorcinol Acetophenone, 2',4'-dihydroxy- Ethanone, 1-(2,4-dihydroxyphenyl)- Resacetophenone Resoacetophenone Resorcinol, 4-acetyl- C8H8O3 152.1473 152.047344122 1-(2,4-dihydroxyphenyl)ethan-1-one 2',4'-dihydroxyacetophenone 89-84-9 CC(=O)C1=C(O)C=C(O)C=C1 InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetophenones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Resorcinols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Resorcinol Vinylogous acid dihydroxyacetophenone resorcinols logp 1.21 ALOGPS logs -1.29 ALOGPS solubility 7.82e+00 g/l ALOGPS melting_point Mp 147° logp 1.57 ChemAxon pka_strongest_acidic 7.9 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1-(2,4-dihydroxyphenyl)ethan-1-one ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles CC(=O)C1=C(O)C=C(O)C=C1 ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 ChemAxon inchikey SULYEHHGGXARJS-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.42 ChemAxon polarizability 14.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3552 Specdb::MsIr 3553 Specdb::MsIr 3554 Specdb::MsMs 95604 Specdb::MsMs 95605 Specdb::MsMs 95606 Specdb::MsMs 159897 Specdb::MsMs 159898 Specdb::MsMs 159899 Specdb::MsMs 285903 Specdb::MsMs 285904 Specdb::MsMs 285905 Specdb::MsMs 373674 Specdb::MsMs 373675 Specdb::MsMs 373676 Specdb::MsMs 440163 Specdb::MsMs 440215 Specdb::MsMs 440216 Specdb::MsMs 2229459 Specdb::MsMs 2230034 Specdb::MsMs 2241238 Specdb::MsMs 2242512 Specdb::MsMs 2243356 Specdb::MsMs 2253084 Specdb::MsMs 2253397 Specdb::MsMs 2255158 Specdb::MsMs 2255401 Specdb::MsMs 2257108 Specdb::CMs 19785 Specdb::CMs 27819 Specdb::CMs 28270 Specdb::CMs 29866 Specdb::CMs 29894 Specdb::CMs 41500 Specdb::CMs 100383 Specdb::CMs 100384 Specdb::CMs 100385 Specdb::CMs 100386 Specdb::CMs 155529 Specdb::NmrOneD 158890 Specdb::NmrOneD 158891 Specdb::NmrOneD 158892 Specdb::NmrOneD 158893 Specdb::NmrOneD 158894 Specdb::NmrOneD 158895 Specdb::NmrOneD 158896 Specdb::NmrOneD 158897 Specdb::NmrOneD 158898 Specdb::NmrOneD 158899 Specdb::NmrOneD 158900 Specdb::NmrOneD 158901 Specdb::NmrOneD 158902 Specdb::NmrOneD 158903 Specdb::NmrOneD 158904 Specdb::NmrOneD 158905 Specdb::NmrOneD 158906 Specdb::NmrOneD 158907 Specdb::NmrOneD 158908 Specdb::NmrOneD 158909 HMDB29659 18414 #<Reference:0x000055ce32f52020>