potassium furan-2-carboxylate

• ChemBase ID: 111045
• Molecular Formular: C5H3KO3
• Molecular Mass: 150.17382
• Monoisotopic Mass: 149.97192564
• SMILES: [K+].[O-]C(=O)c1ccco1
• Canonical SMILES: [O-]C(=O)c1ccco1.[K+]
• InChI: InChI=1S/C5H4O3.K/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
• InChIKey: LWYJTCLDMYROHH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium furan-2-carboxylate
• IUPAC Traditional name: potassium ion furoate
• Synonyms: POTASSIUM FUROATE

Database IDs

• PubChem SID: 162106446
• PubChem CID: 19205452

CALCULATED PROPERTIES

• Acid pKa: 3.1211095
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6599585
• LogD (pH = 7.4): -2.767246
• Log P: 0.6910754
• Molar Refractivity: 36.5422 cm^3
• Polarizability: 9.548929 Å^3
• Polar Surface Area: 53.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217541

MP Biomedicals Rare Chemical collection