1.0 2010-04-08 22:05:36 UTC 2019-11-26 02:58:14 UTC FDB002961 9-Oxohexadecanoic acid Trace constituent of milk fat. 9-Oxohexadecanoic acid is found in milk and milk products. 9-keto Palmitic Acid 9-Ketopalmitic acid 9-Oxopalmitic acid C16H30O3 270.4076 270.219494826 9-oxohexadecanoic acid 9-keto palmitic acid 54527-30-9 CCCCCCCC(=O)CCCCCCCC(O)=O InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19) KHCDPAZLBSPVSE-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carboxylic acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxo fatty acids logp 4.91 ALOGPS logs -4.76 ALOGPS solubility 4.72e-03 g/l ALOGPS melting_point Mp 73.5-74.5° logp 5.08 ChemAxon pka_strongest_acidic 4.55 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 9-oxohexadecanoic acid ChemAxon average_mass 270.4076 ChemAxon mono_mass 270.219494826 ChemAxon smiles CCCCCCCC(=O)CCCCCCCC(O)=O ChemAxon formula C16H30O3 ChemAxon inchi InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19) ChemAxon inchikey KHCDPAZLBSPVSE-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 77.72 ChemAxon polarizability 34.01 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68580 Specdb::MsMs 68581 Specdb::MsMs 68582 Specdb::MsMs 126642 Specdb::MsMs 126643 Specdb::MsMs 126644 Specdb::MsMs 2368155 Specdb::MsMs 2368156 Specdb::MsMs 2368157 Specdb::MsMs 2567662 Specdb::MsMs 2567663 Specdb::MsMs 2567664 Specdb::CMs 18214 Specdb::CMs 42280 Specdb::CMs 168593 HMDB30973 #<Reference:0x000055ce32c776e8> Milk and milk products Unknown generic