chempirical

Deuterated acetone

C3D6OCAS 666-52-464.12 g/mol

Open in Covalent MOL file
DDDODDD
Ketone

Properties

Molecular formula
C3D6O
Molar mass
64.12 g/mol
Exact mass
64.0795 Da
Density
0.8749 g/mL (at 20 °C)
Melting point
−98.3 °C
Boiling point
55.5 °C
logP
0.60Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
666-52-4
SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChIKey
CSCPPACGZOOCGX-WFGJKAKNSA-N
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanone-1,1,1,3,3,3-d6
  • Acetone-d6
  • Hexadeuterioacetone
  • Hexadeuteroacetone
  • Perdeuterioacetone
  • 2-Propanone-d6
  • Perdeuteroacetone
  • 1,1,1,3,3,3-Hexadeutero-2-propanone
  • 1,1,1,3,3,3-Hexadeuteriopropan-2-one

Work with Deuterated acetone

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

Similar compounds

Acetic acid-D41186-52-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Allyl alcohol107-18-6 Methyl vinyl ether107-25-5 Propionaldehyde123-38-6 (+)-Propylene oxide15448-47-2 (2S)-2-Methyloxirane16088-62-3 Cyclopropanol16545-68-9 Oxetane503-30-0 Acetone67-64-1

Elsewhere

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