potassium 2-(furan-2-ylmethoxy)acetate

• ChemBase ID: 263128
• Molecular Formular: C7H7KO4
• Molecular Mass: 194.22638
• Monoisotopic Mass: 193.99814038
• SMILES: C(=O)([O-])COCc1occc1.[K+]
• Canonical SMILES: [O-]C(=O)COCc1ccco1.[K+]
• InChI: InChI=1S/C7H8O4.K/c8-7(9)5-10-4-6-2-1-3-11-6;/h1-3H,4-5H2,(H,8,9);/q;+1/p-1
• InChIKey: HBDXKTBGJBNQLT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-(furan-2-ylmethoxy)acetate
• IUPAC Traditional name: potassium 2-(furan-2-ylmethoxy)acetate
• Synonyms: potassium 2-(furan-2-ylmethoxy)acetate

Database IDs

• MDL Number: MFCD13195981
• PubChem SID: 164319038
• PubChem CID: 45792249

CALCULATED PROPERTIES

• Acid pKa: 3.5512333
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5551164
• LogD (pH = 7.4): -2.9721901
• Log P: 0.3872525
• Molar Refractivity: 46.9377 cm^3
• Polarizability: 13.930897 Å^3
• Polar Surface Area: 62.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): -2.371

Product Information

• Purity: 95%