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Ethyl 2-cyclohexanoneacetate

CAT: 0013-GTR19252546-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252546-01Size:50 mg
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Description
Ethyl 2-cyclohexanoneacetate
CAS Number
24731-17-7
Purity
99.88% (May vary between batches)
Smiles
CCOC (=O) CC1CCCCC1=O
Molecular Formula
C10H16O3
Molecular Weight
184.23
Storage Conditions
-20°C
Notes
For research use only.

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

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