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Deuterium oxide 99.9%

CAT: 0063-90029872Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0063-90029872Size:500 mL
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CAS Number
7789-20-0

Chemical Information

Deuterium Oxide

Dideuterium oxide is a water and a deuterated compound. It has a role as a NMR solvent and a NMR chemical shift reference compound.

CAS Number7789-20-0
PubChem CID24602
IUPAC Namedeuterated water
Molecular FormulaH2O
Molecular Weight20.028
XLogP-0.5
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count1
Formal Charge0
Complexity0
SMILES
[2H]O[2H]
InChI
InChI=1S/H2O/h1H2/i/hD2
InChIKey
XLYOFNOQVPJJNP-ZSJDYOACSA-N
Chemical Structure
2D Structure
2D structure of Deuterium Oxide
CAS: 7789-20-0
CID: 24602
Formula: H2O
MW: 20.028
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight20.028
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass20.023118175
Monoisotopic Mass20.023118175
Topological Polar Surface Area1 Ų
Heavy Atom Count1
Formal Charge0
Complexity0
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes