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Acetone D6

CAT: 0926-AAA66652-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-AAA66652-02Size:25 g
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CAS Number
666-52-4
Smiles
[2H]C ([2H]) ([2H]) C (=O) C ([2H]) ([2H]) [2H]
Molecular Formula
C3D6O
Molecular Weight
64.12 g/mol
Controlled
Yes

Chemical Information

Acetone-D6

Acetone d6 is a deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has a role as a NMR solvent and a polar aprotic solvent. It is a member of propanones and a deuterated compound.

CAS Number666-52-4
PubChem CID522220
IUPAC Name1,1,1,3,3,3-hexadeuteriopropan-2-one
Molecular FormulaC3H6O
Molecular Weight64.12
XLogP-0.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity26
SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChIKey
CSCPPACGZOOCGX-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Acetone-D6
CAS: 666-52-4
CID: 522220
Formula: C3H6O
MW: 64.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight64.12
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass64.079525286
Monoisotopic Mass64.079525286
Topological Polar Surface Area17.1 Ų
Heavy Atom Count4
Formal Charge0
Complexity26.3
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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