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3-Acetylbenzophenone

CAT: 0013-GTR19224164-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224164-02Size:25 mg
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Description
3-Acetylbenzophenone is a bioactive small molecule utilized in research. It serves as a synthetic intermediate in medicinal chemistry for developing pharmacologically active compounds, applicable in both in vitro biochemical assays and in vivo preclinical studies.
CAS Number
66067-44-5
Field of Research
Cell Biology
Smiles
CC (=O) c1cccc (c1) C (=O) c1ccccc1
Molecular Formula
C15H12O2
Molecular Weight
224.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Acetylbenzophenone
CAS Number66067-44-5
PubChem CID2763076
IUPAC Name1-(3-benzoylphenyl)ethanone
Molecular FormulaC15H12O2
Molecular Weight224.25
XLogP3.1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity289
SMILES
CC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
PPNGALBGZJBTRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Acetylbenzophenone
CAS: 66067-44-5
CID: 2763076
Formula: C15H12O2
MW: 224.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.25
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass224.083729621
Monoisotopic Mass224.083729621
Topological Polar Surface Area34.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity289
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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