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Sodium Acetate-13C2,D3

CAT: 0572-TRC-S610972-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S610972-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123333-80-2
Synonyms
Acetic Acid-13C2,D3 Sodium Salt; Sodium Acetate-13C2,D3; Anhydrous Aodium Acetate-13C2,D3; Cryotech NAAC-13C2,D3; Protecta Super-13C2,D3; Safeway SD-13C2,D3; Sanmi-Ace 42-13C2,D3
Hazard Statement
No Data Available
Smiles
[Na+].[2H][13C]([2H])([2H])[13C](=O)[O-]
Molecular Formula
13C2D3NaO2
Molecular Weight
87.04
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Sodium acetate-13C2,d3
CAS Number123333-80-2
PubChem CID16211895
IUPAC Namesodium 2,2,2-trideuterioacetate
Molecular FormulaC2H3NaO2
Molecular Weight87.038
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity34
SMILES
[2H][13C]([2H])([2H])[13C](=O)[O-].[Na+]
InChI
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i1+1D3,2+1;
InChIKey
VMHLLURERBWHNL-SZRYOQPCSA-M
Chemical Structure
2D Structure
2D structure of Sodium acetate-13C2,d3
CAS: 123333-80-2
CID: 16211895
Formula: C2H3NaO2
MW: 87.038
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight87.038
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass87.02861352
Monoisotopic Mass87.02861352
Topological Polar Surface Area40.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity34.6
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes