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Methanol-d4

CAT: 1596-AR-M02484-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02484-02Size:25 Units
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CAS Number
811-98-3
Synonyms
Tetradeuteromethanol; Methan-d3-ol-d; Perdeuteromethanol
Molecular Formula
CD4O
Molecular Weight
36.07
API Name
Stable Isotope

Chemical Information

Methanol-D4

Methanol-d4 is a deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy. It has a role as a NMR solvent and an amphiprotic solvent.

CAS Number811-98-3
PubChem CID71568
IUPAC Nametrideuterio(deuteriooxy)methane
Molecular FormulaCH4O
Molecular Weight36.066
XLogP-0.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count2
Formal Charge0
Complexity2
SMILES
[2H]C([2H])([2H])O[2H]
InChI
InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D
InChIKey
OKKJLVBELUTLKV-MZCSYVLQSA-N
Chemical Structure
2D Structure
2D structure of Methanol-D4
CAS: 811-98-3
CID: 71568
Formula: CH4O
MW: 36.066
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight36.066
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass36.051321731
Monoisotopic Mass36.051321731
Topological Polar Surface Area20.2 Ų
Heavy Atom Count2
Formal Charge0
Complexity2
Isotope Atom Count4
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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FM156673-01Methanol-D4
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