dimethoxyphosphinic acid

• ChemBase ID: 75016
• Molecular Formular: C2H7O4P
• Molecular Mass: 126.048341
• Monoisotopic Mass: 126.00819533
• SMILES: P(=O)(OC)(OC)O
• Canonical SMILES: COP(=O)(OC)O
• InChI: InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
• InChIKey: KKUKTXOBAWVSHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxyphosphinic acid
• IUPAC Traditional name: dimethyl phosphate
• Synonyms: Dimethylphosphate; Dimethylphosphonate; Dimethyl hydrogen phosphate

Database IDs

• CAS Number: 813-78-5
• MDL Number: MFCD00014887
• PubChem SID: 162039934
• PubChem CID: 13134

CALCULATED PROPERTIES

• Acid pKa: 2.0045173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6089003
• LogD (pH = 7.4): -2.6401675
• Log P: -0.2641824
• Molar Refractivity: 23.6165 cm^3
• Polarizability: 9.824474 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive