chempirical

Dimethyl P-(2-hydroxyethyl)phosphonate

C4H11O4PCAS 54731-72-5154.10 g/mol

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OPOOHO
AlcoholPhosphonate

Properties

Molecular formula
C4H11O4P
Molar mass
154.10 g/mol
Exact mass
154.0395 Da
Density
1.1711 g/mL (at 20 °C)
Boiling point
95–97 °C (at 6 Torr)
logP
0.46Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
54731-72-5
SMILES
COP(=O)(CCO)OC
InChIKey
TZPPDWDHNIMTDQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3

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Names and synonyms

7 names
  • Phosphonic acid, P-(2-hydroxyethyl)-, dimethyl ester
  • Phosphonic acid, (2-hydroxyethyl)-, dimethyl ester
  • Dimethyl (2-hydroxyethyl)phosphonate
  • Dimethyl (β-hydroxyethyl)phosphonate
  • (2-Hydroxyethyl)phosphonic acid dimethyl ester
  • Dimethyl 2-phosphonoethanol
  • 2-Dimethoxyphosphorylethanol

Work with Dimethyl P-(2-hydroxyethyl)phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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