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Compound Fr16684

CAT: 0013-GTR19270150-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270150-01Size:1 mg
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Description
Compound Fr16684, with CAS No. 5122-77-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16684 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.
CAS Number
5122-77-0
Smiles
CC12CCC (O) (CC1) CC2=O
Molecular Formula
C9H14O2
Molecular Weight
154.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxy-1-methylbicyclo[2.2.2]octan-2-one
CAS Number5122-77-0
PubChem CID301135
IUPAC Name4-hydroxy-1-methylbicyclo[2.2.2]octan-2-one
Molecular FormulaC9H14O2
Molecular Weight154.21
XLogP0.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity200
SMILES
CC12CCC(CC1)(CC2=O)O
InChI
InChI=1S/C9H14O2/c1-8-2-4-9(11,5-3-8)6-7(8)10/h11H,2-6H2,1H3
InChIKey
RZVOELWTDCTKLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-1-methylbicyclo[2.2.2]octan-2-one
CAS: 5122-77-0
CID: 301135
Formula: C9H14O2
MW: 154.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.21
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass154.099379685
Monoisotopic Mass154.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity200
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
GTR19270149-01Compound Fr16681
GTR19270152-01Compound Fr16687
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GTR19270138-01Compound Fr16644
GTR19270140-01Compound Fr16648
GTR19270154-01Compound Fr16693
GTR19269887-01Compound Fr13184
GTR19269827-01Compound Fr12654
GTR19269797-01Compound Fr12384
GTR19270145-01Compound Fr16670

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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