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Naproxen-d3

CAT: 1596-AR-N01875-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01875-01Size:10 Units
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CAS Number
958293-77-1
Synonyms
3,3,3-trideuterio-2- (6-methoxynaphthalen-2-yl) propanoic acid ; 6-methoxy-alpha- (methyl-d3) -2-naphthaleneaceticacid;6-methoxy-alpha- (methyl-d3) -2-naphthaleneaceticacid;6-methoxy-alpha-methyl-d3-2-naphthaleneacetic acid
Molecular Formula
C14H11D3O3
Molecular Weight
233.28
API Name
Naproxen

Chemical Information

rac Naproxen-d3
CAS Number958293-77-1
PubChem CID59015013
IUPAC Name3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)propanoic acid
Molecular FormulaC14H14O3
Molecular Weight233.28
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]C([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)/i1D3
InChIKey
CMWTZPSULFXXJA-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of rac Naproxen-d3
CAS: 958293-77-1
CID: 59015013
Formula: C14H14O3
MW: 233.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.28
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.113124542
Monoisotopic Mass233.113124542
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity277
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