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Acetaldehyde-d3

CAT: 0572-TRC-A132601-250MGSize: 250 mgDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-A132601-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19901-15-6
Synonyms
Acetic Aldehyde-d3; Ethanal-d3; Ethyl Aldehyde-d3; Perdeuteroacetaldehyde-d3; Tetradeuteroacetaldehyde-d3; Acetaldehyde-2,2,2-d3
Hazard Statement
Extremely flammable liquid and vapour; UN number: UN1089; Packing Group: I
Smiles
[2H]C([2H])([2H])C=O
Molecular Formula
C2 D3 H O
Molecular Weight
47.07
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3
Additionnal Information
IUPAC name: 2,2,2-trideuterioacetaldehyde
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Acetaldehyde-2,2,2-d3
CAS Number19901-15-6
PubChem CID140625
IUPAC Name2,2,2-trideuterioacetaldehyde
Molecular FormulaC2H4O
Molecular Weight47.07
XLogP-0.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count3
Formal Charge0
Complexity10
SMILES
[2H]C([2H])([2H])C=O
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3
InChIKey
IKHGUXGNUITLKF-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Acetaldehyde-2,2,2-d3
CAS: 19901-15-6
CID: 140625
Formula: C2H4O
MW: 47.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight47.07
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass47.045044985
Monoisotopic Mass47.045044985
Topological Polar Surface Area17.1 Ų
Heavy Atom Count3
Formal Charge0
Complexity10.3
Isotope Atom Count3
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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162493Acetaldehyde-d3
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