potassium 2-cyclopropyl-2-oxoacetate

• ChemBase ID: 242620
• Molecular Formular: C5H5KO3
• Molecular Mass: 152.1897
• Monoisotopic Mass: 151.9875757
• SMILES: C(=O)(C1CC1)C(=O)[O-].[K+]
• Canonical SMILES: O=C(C(=O)[O-])C1CC1.[K+]
• InChI: InChI=1S/C5H6O3.K/c6-4(5(7)8)3-1-2-3;/h3H,1-2H2,(H,7,8);/q;+1/p-1
• InChIKey: BIHOEOFKAILDIR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-cyclopropyl-2-oxoacetate
• IUPAC Traditional name: potassium 2-cyclopropyl-2-oxoacetate
• Synonyms: potassium 2-cyclopropyl-2-oxoacetate

Database IDs

• MDL Number: MFCD16170442
• PubChem SID: 164298530
• PubChem CID: 23681695

CALCULATED PROPERTIES

• Acid pKa: 3.0599167
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5620413
• LogD (pH = 7.4): -2.6213682
• Log P: 0.84567016
• Molar Refractivity: 36.226 cm^3
• Polarizability: 9.811586 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.285

Product Information

• Purity: 95%