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(R)-(-)-Ibuprofen-d3

CAT: 0572-TRC-I140007-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I140007-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121702-86-1
Synonyms
(αR)-α-(Methyl-d3)-4-(2-methylpropyl)benzeneacetic Acid; (-)-Ibuprofen-d3; (R)-2-(4-Isobutylphenyl)propanoic Acid-d3; (R)-Ibuprofen-d3; R-(-)-p-Isobutylhydratropic Acid-d3;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(C)CC1=CC=C([C@@H](C([2H])([2H])[2H])C(O)=O)C=C1
Molecular Formula
C13H15D3O2
Molecular Weight
209.3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(R)-(-)-Ibuprofen-d3
CAS Number121702-86-1
PubChem CID59014967
IUPAC Name(2R)-3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular FormulaC13H18O2
Molecular Weight209.30
XLogP3.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
[2H]C([2H])([2H])[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)O
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i3D3
InChIKey
HEFNNWSXXWATRW-NYJKMMONSA-N
Chemical Structure
2D Structure
2D structure of (R)-(-)-Ibuprofen-d3
CAS: 121702-86-1
CID: 59014967
Formula: C13H18O2
MW: 209.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.30
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass209.149510051
Monoisotopic Mass209.149510051
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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