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Acetic-2,2,2-d3 Acid

CAT: 0572-TRC-A167646-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A167646-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1112-02-3
Synonyms
Acetic Acid 2,2,2-D3; 2,2,2-Trideuterioacetic acid; Acetic acid-d3; d3-Acetic acid; Trideuterioacetic acid; Acetic-d3 acid (6CI, 7CI, 8CI, 9CI)
Hazard Statement
Flammable liquid and vapour; UN number: UN2789; Packing Group: II
Smiles
[2H]C([2H])([2H])C(=O)O
Molecular Formula
C2 D3 H O2
Molecular Weight
63.07
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3
Additionnal Information
IUPAC name: 2,2,2-trideuterioacetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acetic acid-C,C,C-d3
CAS Number1112-02-3
PubChem CID136860
IUPAC Name2,2,2-trideuterioacetic acid
Molecular FormulaC2H4O2
Molecular Weight63.07
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
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3
InChIKey
QTBSBXVTEAMEQO-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid-C,C,C-d3
CAS: 1112-02-3
CID: 136860
Formula: C2H4O2
MW: 63.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight63.07
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass63.039959604
Monoisotopic Mass63.039959604
Topological Polar Surface Area37.3 Ų
Heavy Atom Count4
Formal Charge0
Complexity31
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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Alternative Products

CatalogName
sc-257050Acetic acid-2,2,2-d3
sc-257049Acetic acid-2-13C,2,2,2-d3
417253-012-Cyano-2- (methoxyimino) acetic Acid-d3
HY-W012791S-012- (Methylamino) acetic acid-d3 (hydrochloride)
463753-01(R) -2-Phenyl-2- (pivalamido-d3) acetic Acid
431548-01(4-Chloro-2-methylphenoxy) acetic Acid-d3
HY-W188178S2-[Methyl (nitroso) amino]acetic acid-d3
1591702- (3,4-Dimethoxyphenoxy) acetic Acid-d3
431546-01(4-​Chloro-​2-​methylphenoxy-​2, ​3, ​5-​d3) ​acetic Acid
FGA50128-012- (2,2-Dimethylcyclohexyl) acetic acid

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