1.0 2016-09-30 23:27:48 UTC 2020-04-22 15:19:08 UTC BMDB0006961 BMDB06961 Hydroxyacetone 1-Hydroxy-2-propanone 2-Ketopropyl alcohol Acetol Acetone alcohol Methylketol Pyruvic alcohol Pyruvinalcohol 1-Hydroxy-2-acetone 1-Hydroxyacetone 2-Oxopropanol Acetylcarbinol Acetylmethanol Hydroxymethyl methyl ketone Hydroxypropanone alpha-Hydroxyacetone Α-hydroxyacetone Hydroxyacetone C3H6O2 74.0785 74.036779436 1-hydroxypropan-2-one acetone alcohol 116-09-6 CC(=O)CO InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 XLSMFKSTNGKWQX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-hydroxy ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the alpha carbon atom, relative to the C=O group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alpha-hydroxy ketones Hydrocarbon derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Hydrocarbon derivative Organic oxide Primary alcohol Aliphatic acyclic compounds a small molecule methyl ketone primary alcohol propanone Liquid melting_point -17 °C logp -1.02 ALOGPS logs 0.96 ALOGPS logp -0.71 ChemAxon pka_strongest_acidic 13.88 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 1-hydroxypropan-2-one ChemAxon average_mass 74.0785 ChemAxon mono_mass 74.036779436 ChemAxon smiles CC(=O)CO ChemAxon formula C3H6O2 ChemAxon inchi InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 ChemAxon inchikey XLSMFKSTNGKWQX-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 17.9 ChemAxon polarizability 7.26 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 1708 Specdb::MsIr 2456 Specdb::MsIr 2457 Specdb::MsIr 2458 Specdb::CMs 12013 Specdb::CMs 27742 Specdb::CMs 28584 Specdb::CMs 31751 Specdb::CMs 31752 Specdb::CMs 31753 Specdb::CMs 31754 Specdb::CMs 31755 Specdb::CMs 39150 Specdb::CMs 99939 Specdb::CMs 99940 Specdb::CMs 99941 Specdb::CMs 99942 Specdb::CMs 99943 Specdb::CMs 99944 Specdb::CMs 99945 Specdb::CMs 153091 Specdb::MsMs 20408 Specdb::MsMs 20409 Specdb::MsMs 20410 Specdb::MsMs 21959 Specdb::MsMs 21960 Specdb::MsMs 21961 Specdb::MsMs 1474629 Specdb::MsMs 1474630 Specdb::MsMs 1474631 Specdb::MsMs 1474632 Specdb::MsMs 1474633 Specdb::MsMs 1474634 Specdb::MsMs 1474635 Specdb::MsMs 1474636 Specdb::MsMs 1474637 Specdb::MsMs 1474638 Specdb::MsMs 1474639 Specdb::MsMs 1474640 Specdb::MsMs 1474641 Specdb::MsMs 1474642 Specdb::MsMs 1474643 Specdb::MsMs 1474644 Specdb::MsMs 1474645 Specdb::MsMs 1474646 Specdb::MsMs 2428831 Specdb::NmrOneD 3809 Specdb::NmrOneD 4074 Specdb::NmrOneD 92172 Specdb::NmrOneD 92173 Specdb::NmrOneD 92174 Specdb::NmrOneD 92175 Specdb::NmrOneD 92176 Specdb::NmrOneD 92177 Specdb::NmrOneD 92178 Specdb::NmrOneD 92179 Specdb::NmrOneD 92180 Specdb::NmrOneD 92181 Specdb::NmrOneD 92182 Specdb::NmrOneD 92183 Specdb::NmrOneD 92184 Specdb::NmrOneD 92185 Specdb::NmrOneD 92186 Specdb::NmrOneD 92187 Specdb::NmrOneD 92188 Specdb::NmrOneD 92189 Specdb::NmrOneD 92190 Specdb::NmrOneD 92191 FDB012041 C05235 21106125 27957 8299 C00019558 Hydroxyacetone ACETOL