sodium phenylphosphinate

• ChemBase ID: 107797
• Molecular Formular: C6H6NaO2P
• Molecular Mass: 164.074171
• Monoisotopic Mass: 164.00031034
• SMILES: [Na+].[O-]P(=O)c1ccccc1
• Canonical SMILES: [O-]P(=O)c1ccccc1.[Na+]
• InChI: InChI=1S/C6H7O2P.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5,9H,(H,7,8);/q;+1/p-1
• InChIKey: OHIDUEQCSBPCMZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium phenylphosphinate
• IUPAC Traditional name: potassium phenylphosphinate
• Synonyms: SODIUM PHENYLPHOSPHINATE

Database IDs

• CAS Number: 29570-45-4
• PubChem SID: 162093942
• PubChem CID: 6364990

CALCULATED PROPERTIES

• Acid pKa: 2.918505
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4057299
• LogD (pH = 7.4): -1.5725914
• Log P: 0.6886
• Molar Refractivity: 34.3601 cm^3
• Polarizability: 13.946236 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205062

MP Biomedicals Rare Chemical collection