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rac 2-Hydroxy Ibuprofen-d6

CAT: 0572-TRC-H942862-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942862-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217055-71-4
Hazard Statement
Harmful if swallowed.
Smiles
[2H]C([2H])([2H])C(O)(Cc1ccc(cc1)C(C)C(=O)O)C([2H])([2H])[2H]
Molecular Formula
C13H12D6O3
Molecular Weight
228.32
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

rac 2-Hydroxy Ibuprofen-d6
CAS Number1217055-71-4
PubChem CID57347707
IUPAC Name2-[4-[3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propyl]phenyl]propanoic acid
Molecular FormulaC13H18O3
Molecular Weight228.32
XLogP2.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity240
SMILES
[2H]C([2H])([2H])C(CC1=CC=C(C=C1)C(C)C(=O)O)(C([2H])([2H])[2H])O
InChI
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/i2D3,3D3
InChIKey
UJHKVYPPCJBOSG-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of rac 2-Hydroxy Ibuprofen-d6
CAS: 1217055-71-4
CID: 57347707
Formula: C13H18O3
MW: 228.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.32
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass228.163254908
Monoisotopic Mass228.163254908
Topological Polar Surface Area57.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity240
Isotope Atom Count6
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
HY-126121S-012-Hydroxy Ibuprofen-d6
013859Rac 2-Hydroxy Ibuprofen-d6
574273(±)-2-hydroxy Ibuprofen
HY-1261212-Hydroxy Ibuprofen
164440Hydroxy Ibuprofen
sc-219775Rac 2-Hydroxy Ibuprofen
HY-126121R2-Hydroxy Ibuprofen (Standard)
HY-W704952Rac 2- (tert-Butyldimethylsilyloxy) Ibuprofen-d6
MBS6086541-01rac 2-(tert-Butyldimethylsilyloxy) Ibuprofen-d6
sc-490757Hydroxy Ibuprofen-d3

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