dipotassium butanedioate

• ChemBase ID: 111200
• Molecular Formular: C4H4K2O4
• Molecular Mass: 194.26876
• Monoisotopic Mass: 193.93837197
• SMILES: [K+].[K+].[O-]C(=O)CCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCC(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C4H6O4.2K/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
• InChIKey: CVOQYKPWIVSMDC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium butanedioate
• IUPAC Traditional name: dipotassium ion succinate
• Synonyms: POTASSIUM SUCCINATE

Database IDs

• CAS Number: 676-47-1
• PubChem SID: 162096566
• PubChem CID: 164717

CALCULATED PROPERTIES

• Acid pKa: 3.5541666
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.5536554
• LogD (pH = 7.4): -5.4738803
• Log P: -0.39848298
• Molar Refractivity: 45.2112 cm^3
• Polarizability: 9.14473 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.564 g/ml