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2,3-Butanedione-d6

CAT: 1459-CS-T-49984Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-49984Size:1 Each
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Description
2,3-Butanedione-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Butanedione. The product is supplied by Clearsynth under CAT No. CS-T-49984. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
22026-37-5
Synonyms
2,3-Butanedione-d6
Molecular Formula
C 4 D 6 O 2
Molecular Weight
92.13
Additionnal Information
2,3-Butanedione-d6 is supplied with detailed characterization data compliant with regulatory guideline. 2,3-Butanedione-d6 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Butanedione.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

2,3-Butanedione-D6
CAS Number22026-37-5
PubChem CID12197630
IUPAC Name1,1,1,4,4,4-hexadeuteriobutane-2,3-dione
Molecular FormulaC4H6O2
Molecular Weight92.13
XLogP-1.3
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity71
SMILES
[2H]C([2H])([2H])C(=O)C(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3/i1D3,2D3
InChIKey
QSJXEFYPDANLFS-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Butanedione-D6
CAS: 22026-37-5
CID: 12197630
Formula: C4H6O2
MW: 92.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight92.13
XLogP3-1.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass92.074439906
Monoisotopic Mass92.074439906
Topological Polar Surface Area34.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity71.5
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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