phenyl ethylphosphinate

• ChemBase ID: 291860
• Molecular Formular: C8H11O2P
• Molecular Mass: 170.145501
• Monoisotopic Mass: 170.04966622
• SMILES: CCP(=O)Oc1ccccc1
• Canonical SMILES: CCP(=O)Oc1ccccc1
• InChI: InChI=1S/C8H11O2P/c1-2-11(9)10-8-6-4-3-5-7-8/h3-7,11H,2H2,1H3
• InChIKey: WYSWAQOXJJHWCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl ethylphosphinate
• IUPAC Traditional name: phenyl ethylphosphinate
• Synonyms: Phenyl ethylphosphinate

Database IDs

• CAS Number: 2511-09-3
• MDL Number: MFCD11505905
• PubChem SID: 180677391
• PubChem CID: 13620612

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6298
• LogD (pH = 7.4): 1.6298
• Log P: 1.6298
• Molar Refractivity: 44.8787 cm^3
• Polarizability: 17.961838 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%