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Compound Fr14371

CAT: 0931-Fr14371-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14371-01Size:200 mg
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CAS Number
2932-65-2
Purity
0.9972
Bioactivity
Compound Fr14371, with CAS No. 2932-65-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14371 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CCCC1=CC=C(C=C1)C(C)=O
Molecular Formula
C11H14O
Molecular Weight
162.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Propylphenyl)ethan-1-one
CAS Number2932-65-2
PubChem CID76236
IUPAC Name1-(4-propylphenyl)ethanone
Molecular FormulaC11H14O
Molecular Weight162.23
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity143
SMILES
CCCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3
InChIKey
ZNBVIYMIVFKTIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Propylphenyl)ethan-1-one
CAS: 2932-65-2
CID: 76236
Formula: C11H14O
MW: 162.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.23
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass162.104465066
Monoisotopic Mass162.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
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

Related Products

CatalogName
Fr14317-01Compound Fr14317
Fr14374-01Compound Fr14374
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Fr14373-01Compound Fr14373
Fr13471-01Compound Fr13471
Fr14381-01Compound Fr14381
Fr14071-01Compound Fr14071
Fr14378-01Compound Fr14378

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ALX-550-516-M025Compound A
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HY-14176-01Compound E
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2573-5Compound 112254
MBS3613444-01Compound W
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