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2-Acetyl-6-methoxynaphthalene

CAT: 0013-GTR19162294-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162294-01Size:1 g
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Description
Used in synthetic non-steroidal anti-inflammatory analgesic drug, the key intermediate of naproxen and naphthalene tome.
CAS Number
3900-45-6
Purity
>98% (HPLC)
Solubility
Limited solubility
Smiles
COC1=CC2=C (C=C1) C=C (C=C2) C (C) =O
Molecular Formula
C13H12O2
Molecular Weight
200.23
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Acetyl-6-methoxynaphthalene
CAS Number3900-45-6
PubChem CID77506
IUPAC Name1-(6-methoxynaphthalen-2-yl)ethanone
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
InChIKey
GGWCZBGAIGGTDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-6-methoxynaphthalene
CAS: 3900-45-6
CID: 77506
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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