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3'-Methoxyacetophenone

CAT: 0013-GTR19257352Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19257352Size:1 g
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Description
3'-Methoxyacetophenone is a versatile aromatic ketone employed as a key synthetic intermediate in medicinal chemistry research. It serves as a building block for developing bioactive compounds and is utilized in both in vitro biochemical assays and in vivo pharmacological studies.
CAS Number
586-37-8
Purity
99.83% (May vary between batches)
Smiles
O=C (C=1C=CC=C (OC) C1) C
Molecular Formula
C9H10O2
Molecular Weight
150.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Methoxyacetophenone
CAS Number586-37-8
PubChem CID11460
IUPAC Name1-(3-methoxyphenyl)ethanone
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity142
SMILES
CC(=O)C1=CC(=CC=C1)OC
InChI
InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChIKey
BAYUSCHCCGXLAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxyacetophenone
CAS: 586-37-8
CID: 11460
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity142
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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