(±) -Naproxen-d3

CAT: 0926-INB29379-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-INB29379-02Size:100 mg

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CAS Number

958293-79-3

Smiles

CC (C1=CC2=C (C=C1) C=C (C=C2) OC) C (=O) O

Molecular Formula

C14H14O3

Molecular Weight

233.28 g/mol

Controlled

Chemical Information

6-(Methoxy-d3)-alpha-methyl-2-naphthaleneacetic acid

CAS Number	958293-79-3
PubChem CID	59015003
IUPAC Name	2-[6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid
Molecular Formula	C14H14O3
Molecular Weight	233.28
XLogP	3.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	277

SMILES

[2H]C([2H])([2H])OC1=CC2=C(C=C1)C=C(C=C2)C(C)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)/i2D3

InChIKey

CMWTZPSULFXXJA-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 958293-79-3

CID: 59015003

Formula: C14H14O3

MW: 233.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.28
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.113124542
Monoisotopic Mass	233.113124542
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes