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rac Ketoprofen-d3

CAT: 0572-TRC-K200803-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K200803-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159490-55-8
Synonyms
(±)-Ketoprofen D3 (methyl D3); rac Ketoprofen-d3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(C(=O)O)c1cccc(c1)C(=O)c2ccccc2
Molecular Formula
C16 2H3 H11 O3
Molecular Weight
257.3
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/i1D3
Additionnal Information
IUPAC name: 2-(3-benzoylphenyl)-3,3,3-trideuteriopropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ketoprofen-d3
CAS Number159490-55-8
PubChem CID12380743
IUPAC Name2-(3-benzoylphenyl)-3,3,3-trideuteriopropanoic acid
Molecular FormulaC16H14O3
Molecular Weight257.30
XLogP3.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
[2H]C([2H])([2H])C(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/i1D3
InChIKey
DKYWVDODHFEZIM-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Ketoprofen-d3
CAS: 159490-55-8
CID: 12380743
Formula: C16H14O3
MW: 257.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.30
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass257.113124542
Monoisotopic Mass257.113124542
Topological Polar Surface Area54.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-489222Ketoprofen-d3
AR-K01053-01(S) -Ketoprofen-d3
HY-B2137SS- (+) -Ketoprofen-d3
HY-B0227S2Ketoprofen-13C, d3
464205-01Rac Ketoprofen-d3
AR-K01048-01Ketoprofen-13C-d3
MBS6057879-01rac Ketoprofen-13C,d3
sc-489224(R) - (-) -Ketoprofen-13C, d3
AR-K01074-01Ketoprofen-d3 Acyl Glucuronide
015343Rac Ketoprofen-13C, d3

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