1.0 2010-04-08 22:15:07 UTC 2019-11-26 03:19:08 UTC FDB020567 Achimillic acid C Constituent of Achillea millefolium (yarrow). Achimillic acid C is found in herbs and spices. Achimillic acid C C15H18O5 278.3004 278.115423686 (3R)-3-{[(1E,2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl}-2-methylidene-6-oxoheptanoic acid (3R)-3-{[(1E,2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl}-2-methylidene-6-oxoheptanoic acid 110732-04-2 CC(=O)CCC(\C=C1/C(=O)C=CC1(C)O)C(=C)C(O)=O InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+ ARZDSTJTDVJYCF-XYOKQWHBSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Medium-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives logp 1.14 ChemAxon pka_strongest_acidic 4.49 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (3R)-3-{[(1E,2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl}-2-methylidene-6-oxoheptanoic acid ChemAxon average_mass 278.3004 ChemAxon mono_mass 278.115423686 ChemAxon smiles CC(=O)CCC(\C=C1/C(=O)C=CC1(C)O)C(=C)C(O)=O ChemAxon formula C15H18O5 ChemAxon inchi InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+ ChemAxon inchikey ARZDSTJTDVJYCF-XYOKQWHBSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 74.06 ChemAxon polarizability 29.09 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB37325 #<Reference:0x000055ce31e0a948> Herbs and Spices Unknown generic