1.0 2010-04-08 22:09:20 UTC 2019-11-26 03:04:12 UTC FDB010851 Sedanonic acid Isolated from celery oil (Apium graveolens) after hydrolysis Sedanonic acid is found in green vegetables. 6-(1-Oxopentyl)-1-cyclohexene-1-carboxylic acid, 9CI C12H18O3 210.2695 210.125594442 6-pentanoylcyclohex-1-ene-1-carboxylic acid 6-pentanoylcyclohex-1-ene-1-carboxylic acid 6697-07-0 CCCCC(=O)C1CCCC=C1C(O)=O InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15) PHVSWPDOXIQPTN-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. Gamma-keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Aliphatic homomonocyclic compounds Carboxylic acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Gamma-keto acid Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.66 ALOGPS logs -2.44 ALOGPS solubility 7.62e-01 g/l ALOGPS melting_point Mp 113° logp 2.88 ChemAxon pka_strongest_acidic 4.76 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 6-pentanoylcyclohex-1-ene-1-carboxylic acid ChemAxon average_mass 210.2695 ChemAxon mono_mass 210.125594442 ChemAxon smiles CCCCC(=O)C1CCCC=C1C(O)=O ChemAxon formula C12H18O3 ChemAxon inchi InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15) ChemAxon inchikey PHVSWPDOXIQPTN-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 58.34 ChemAxon polarizability 23.51 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5755 Specdb::MsIr 5756 Specdb::MsIr 5757 Specdb::CMs 24763 Specdb::CMs 43002 Specdb::CMs 170141 Specdb::MsMs 103686 Specdb::MsMs 103687 Specdb::MsMs 103688 Specdb::MsMs 169797 Specdb::MsMs 169798 Specdb::MsMs 169799 Specdb::MsMs 2734856 Specdb::MsMs 2734857 Specdb::MsMs 2734858 Specdb::MsMs 2974152 Specdb::MsMs 2974153 Specdb::MsMs 2974154 HMDB32871 #<Reference:0x000055ce305b18d8> Green vegetables Unknown generic