1.0 2010-04-08 22:04:43 UTC 2015-07-20 21:34:53 UTC FDB000832 2',3'-Dihydroxyacetophenone Potential component of FEMA 3662. Flavouring ingredient 1-(2,3-Dihydroxyphenyl)ethanone, 9CI 3-Acetylcatechol C8H8O3 152.1473 152.047344122 1-(2,3-dihydroxyphenyl)ethan-1-one 1-(2,3-dihydroxyphenyl)ethanone 13494-10-5 CC(=O)C1=C(O)C(O)=CC=C1 InChI=1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3 HEJLFBLJYFSKCE-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 Catechols Hydrocarbon derivatives Organic oxides Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Catechol Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Vinylogous acid logp 1.27 ALOGPS logs -1.40 ALOGPS solubility 6.07e+00 g/l ALOGPS melting_point Mp 97-98° logp 1.57 ChemAxon pka_strongest_acidic 9.11 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 1-(2,3-dihydroxyphenyl)ethan-1-one ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles CC(=O)C1=C(O)C(O)=CC=C1 ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3 ChemAxon inchikey HEJLFBLJYFSKCE-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.42 ChemAxon polarizability 14.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3549 Specdb::MsIr 3550 Specdb::MsIr 3551 Specdb::CMs 14271 Specdb::CMs 29942 Specdb::CMs 41499 Specdb::CMs 100382 Specdb::CMs 167191 Specdb::MsMs 73674 Specdb::MsMs 73675 Specdb::MsMs 73676 Specdb::MsMs 132900 Specdb::MsMs 132901 Specdb::MsMs 132902 Specdb::MsMs 2843933 Specdb::MsMs 2843934 Specdb::MsMs 2843935 Specdb::MsMs 2861524 Specdb::MsMs 2861525 Specdb::MsMs 2861526 Specdb::NmrOneD 15942 Specdb::NmrOneD 15943 Specdb::NmrOneD 15944 Specdb::NmrOneD 15945 Specdb::NmrOneD 15946 Specdb::NmrOneD 15947 Specdb::NmrOneD 15948 Specdb::NmrOneD 15949 Specdb::NmrOneD 15950 Specdb::NmrOneD 15951 Specdb::NmrOneD 15952 Specdb::NmrOneD 15953 Specdb::NmrOneD 15954 Specdb::NmrOneD 15955 Specdb::NmrOneD 15956 Specdb::NmrOneD 15957 Specdb::NmrOneD 15958 Specdb::NmrOneD 15959 Specdb::NmrOneD 15960 Specdb::NmrOneD 15961 HMDB29658 #<Reference:0x000055ce322fa6d8>