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rac-Naproxen-13C,d3

CAT: 0572-TRC-N377528-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N377528-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216704-11-8
Synonyms
rac-Naproxen (C-methyl-13C-D3); (RS)-6-Methoxy-α-(methyl-13C-d3)-2-naphthaleneacetic acid; [3-13C,D3]-2-(6-Methoxynaphthalen-2-yl)propanoic acid
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H][13C]([2H])([2H])C(C(=O)O)c1ccc2cc(OC)ccc2c1
Molecular Formula
13C C13 2H3 H11 O3
Molecular Weight
234.27
InChI
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i1+1D3
Additionnal Information
IUPAC name: 3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(3^{13}C)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

rac-Naproxen-13C,d3
CAS Number1216704-11-8
PubChem CID46782447
IUPAC Name3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
Molecular FormulaC14H14O3
Molecular Weight234.27
XLogP3.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity277
SMILES
[2H][13C]([2H])([2H])C(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i1+1D3
InChIKey
CMWTZPSULFXXJA-KQORAOOSSA-N
Chemical Structure
2D Structure
2D structure of rac-Naproxen-13C,d3
CAS: 1216704-11-8
CID: 46782447
Formula: C14H14O3
MW: 234.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.27
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass234.11647938
Monoisotopic Mass234.11647938
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity277
Isotope Atom Count4
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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