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Acetic Acid-d4

CAT: 0572-TRC-A167657-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-A167657-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1186-52-3
Hazard Statement
Flammable liquid and vapour; UN number: UN2789; Packing Group: II
Smiles
[2H]OC(=O)C([2H])([2H])[2H]
Molecular Formula
C2 2H4 O2
Molecular Weight
64.08
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
Additionnal Information
IUPAC name: deuterio 2,2,2-trideuterioacetate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

(2H3)acetic (2H)acid

Acetic acid-d4 is a monocarboxylic acid and a deuterated compound. It has a role as a NMR solvent.

CAS Number1186-52-3
PubChem CID2723903
IUPAC Namedeuterio 2,2,2-trideuterioacetate
Molecular FormulaC2H4O2
Molecular Weight64.08
XLogP-0.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity31
SMILES
[2H]C([2H])([2H])C(=O)O[2H]
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
InChIKey
QTBSBXVTEAMEQO-GUEYOVJQSA-N
Chemical Structure
2D Structure
2D structure of (2H3)acetic (2H)acid
CAS: 1186-52-3
CID: 2723903
Formula: C2H4O2
MW: 64.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight64.08
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass64.046236350
Monoisotopic Mass64.046236350
Topological Polar Surface Area37.3 Ų
Heavy Atom Count4
Formal Charge0
Complexity31
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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Alternative Products

CatalogName
CS-O-10922Acetic Acid-d4
CS-O-64105Acetic Acid-d4-5ml
AR-A03242-01Acetic Acid-13C-d4
CS-O-64108Acetic Acid-d4-50ml
A2020-01Deuterated Acetic Acid-d4
CS-O-64107Acetic Acid-d4-25ml
CS-O-64106Acetic Acid-d4-10ml
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