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2-Phenylacetophenone (Standard)

CAT: 0804-HY-Y1777R-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1777R-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Phenylacetophenone has broad-spectrum efflux pump inhibition activity. 2-Phenylacetophenone is a benzoin derivative used as a photoinitiator in vinyl polymerization[1].
CAS Number
451-40-1
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Field of Research
Infection
Smiles
O=C(C1=CC=CC=C1)CC2=CC=CC=C2
Molecular Formula
C14H12O
Molecular Weight
196.25
References & Citations
[1]Hellewell L, et al. Chalcones, stilbenes and ketones have anti-infective properties via inhibition of bacterial drug-efflux and consequential synergism with antimicrobial agents. Access Microbiol. 2020 Feb 18;2 (4) :acmi000105.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2-Phenylacetophenone

structure in first source

CAS Number451-40-1
PubChem CID9948
IUPAC Name1,2-diphenylethanone
Molecular FormulaC14H12O
Molecular Weight196.24
XLogP3.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity197
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
OTKCEEWUXHVZQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylacetophenone
CAS: 451-40-1
CID: 9948
Formula: C14H12O
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass196.088815002
Monoisotopic Mass196.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity197
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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