chempirical

Dimethyl P-(2-oxopropyl)phosphonate

C5H11O4PCAS 4202-14-6166.11 g/mol

Open in Covalent MOL file
OPOOO
KetonePhosphonate

Properties

Molecular formula
C5H11O4P
Molar mass
166.11 g/mol
Exact mass
166.0395 Da
Density
1.1748 g/mL (at 20 °C)
Boiling point
76–79 °C
logP
1.06Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
4202-14-6
SMILES
COP(=O)(CC(C)=O)OC
InChIKey
UOWIYNWMROWVDG-UHFFFAOYSA-N
InChI
InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • Phosphonic acid, P-(2-oxopropyl)-, dimethyl ester
  • Phosphonic acid, acetonyl-, dimethyl ester
  • Phosphonic acid, (2-oxopropyl)-, dimethyl ester
  • (2-Oxopropyl)phosphonic acid dimethyl ester
  • Dimethyl (2-oxopropyl)phosphonate
  • (Dimethylphosphono)acetone
  • Dimethyl β-keto-propylphosphonate
  • Dimethyl acetonylphosphonate
  • Dimethyl 2-oxopropanephosphonate
  • 1-Dimethoxyphosphorylpropan-2-one

Work with Dimethyl P-(2-oxopropyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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