diethoxyphosphinic acid

• ChemBase ID: 294498
• Molecular Formular: C4H11O4P
• Molecular Mass: 154.101501
• Monoisotopic Mass: 154.03949546
• SMILES: O=P(OCC)(OCC)O
• Canonical SMILES: CCOP(=O)(OCC)O
• InChI: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
• InChIKey: UCQFCFPECQILOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethoxyphosphinic acid
• IUPAC Traditional name: diethyl phosphoric acid
• Synonyms: Diethyl hydrogen phosphate

Database IDs

• CAS Number: 598-02-7
• MDL Number: MFCD00039889
• PubChem SID: 180680029
• PubChem CID: 654

CALCULATED PROPERTIES

• Acid pKa: 1.946159
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8991421
• LogD (pH = 7.4): -1.9266036
• Log P: 0.44943354
• Molar Refractivity: 33.1137 cm^3
• Polarizability: 13.403111 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%