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rac-Naproxen 2-Propyl Ester

CAT: 0572-TRC-N377560-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N377560-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68641-85-0
Synonyms
6-Methoxy-alpha-methyl-2-naphthaleneacetic Acid 1-Methylethyl Ester
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1ccc2cc(ccc2c1)C(C)C(=O)OC(C)C
Molecular Formula
C17H20O3
Molecular Weight
272.34
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Rac-naproxen 2-propyl ester
CAS Number68641-85-0
PubChem CID11254291
IUPAC Namepropan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
Molecular FormulaC17H20O3
Molecular Weight272.34
XLogP3.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity326
SMILES
CC(C)OC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C17H20O3/c1-11(2)20-17(18)12(3)13-5-6-15-10-16(19-4)8-7-14(15)9-13/h5-12H,1-4H3
InChIKey
KABDXMXJNHRMMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rac-naproxen 2-propyl ester
CAS: 68641-85-0
CID: 11254291
Formula: C17H20O3
MW: 272.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.34
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass272.14124450
Monoisotopic Mass272.14124450
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes