1.02010-04-08 22:09:38 UTC2018-05-28 23:30:21 UTCFDB011418Calcium benzoatePreservative, used in margarine.Calcium benzoateE213C14H10CaO4282.305282.020499963calcium dibenzoatecalcium dibenzoate2090-05-3[Ca++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2NSQPPSOSXWOZNH-UHFFFAOYSA-L belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.Benzoic acidsOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivativesBenzoyl derivativesCarboxylic acid saltsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic calcium saltsOrganic oxidesOrganooxygen compoundsAromatic homomonocyclic compoundBenzoic acidBenzoylCarboxylic acidCarboxylic acid derivativeCarboxylic acid saltHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic calcium saltOrganic oxideOrganic oxygen compoundOrganic saltOrganooxygen compoundlogp3.18logs-4.58solubility7.42e-03 g/llogp1.63pka_strongest_acidic4.08iupaccalcium dibenzoateaverage_mass282.305mono_mass282.020499963smiles[Ca++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1formulaC14H10CaO4inchiInChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2inchikeyNSQPPSOSXWOZNH-UHFFFAOYSA-Lpolar_surface_area40.13refractivity44.15polarizability11.52rotatable_bond_count2acceptor_count2donor_count0physiological_charge-1formal_charge0