ethoxyphosphinic acid

• ChemBase ID: 110474
• Molecular Formular: C2H7O3P
• Molecular Mass: 110.048941
• Monoisotopic Mass: 110.01328071
• SMILES: CCOP(=O)O
• Canonical SMILES: CCOP(=O)O
• InChI: InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)
• InChIKey: VUERQRKTYBIULR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxyphosphinic acid
• IUPAC Traditional name: fosetyl
• Synonyms: ETHYLPHOSPHONIC ACID

Database IDs

• CAS Number: 6779-09-5
• EC Number: 229-839-2
• PubChem SID: 162088950
• PubChem CID: 6328134

CALCULATED PROPERTIES

• Acid pKa: 2.1928406
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.605789
• LogD (pH = 7.4): -2.6427083
• Log P: -0.3794
• Molar Refractivity: 21.803 cm^3
• Polarizability: 9.028922 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61°C

Safety Information

• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05215159

MP Biomedicals Rare Chemical collection