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Compound Fr14352

CAT: 0931-Fr14352-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-Fr14352-02Size:5 g
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CAS Number
502-49-8
Bioactivity
Compound Fr14352, with CAS No. 502-49-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14352 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
O=C1CCCCCCC1
Molecular Formula
C8H14O
Molecular Weight
126.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclooctanone

cyclooctanone has been reported in Zanthoxylum schinifolium and Ceratophyllum demersum with data available.

CAS Number502-49-8
PubChem CID10403
IUPAC Namecyclooctanone
Molecular FormulaC8H14O
Molecular Weight126.20
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity86
SMILES
C1CCCC(=O)CCC1
InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
InChIKey
IIRFCWANHMSDCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclooctanone
CAS: 502-49-8
CID: 10403
Formula: C8H14O
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity86.7
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
Fr14052-01Compound Fr14052
Fr14452-01Compound Fr14452
Fr14152-01Compound Fr14152
Fr14351-01Compound Fr14351
Fr14325-01Compound Fr14325
Fr14354-01Compound Fr14354
Fr14532-01Compound Fr14532
Fr14356-01Compound Fr14356
Fr14355-01Compound Fr14355
Fr13352-01Compound Fr13352

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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