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Compound Fr12486

CAT: 0931-Fr12486-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12486-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24731-17-7
Purity
0.9988
Bioactivity
Compound Fr12486, with CAS No. 24731-17-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12486 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
CCOC(=O)CC1CCCCC1=O
Molecular Formula
C10H16O3
Molecular Weight
184.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 2-oxocyclohexylacetate
CAS Number24731-17-7
PubChem CID91229
IUPAC Nameethyl 2-(2-oxocyclohexyl)acetate
Molecular FormulaC10H16O3
Molecular Weight184.23
XLogP1.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity198
SMILES
CCOC(=O)CC1CCCCC1=O
InChI
InChI=1S/C10H16O3/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h8H,2-7H2,1H3
InChIKey
ZZWSNYNCRUZSPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-oxocyclohexylacetate
CAS: 24731-17-7
CID: 91229
Formula: C10H16O3
MW: 184.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.23
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass184.109944368
Monoisotopic Mass184.109944368
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12446-01Compound Fr12446
Fr12886-01Compound Fr12886
Fr12846-01Compound Fr12846
Fr12686-01Compound Fr12686
Fr14286-01Compound Fr14286
Fr13486-01Compound Fr13486
Fr12483-01Compound Fr12483
Fr12386-01Compound Fr12386
Fr12286-01Compound Fr12286
Fr12186-01Compound Fr12186

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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