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Ethyl 2-cyclooctylideneacetate

CAT: 0127-OR1075939Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1075939Size:25 g
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CAS Number
1903-24-8
Purity
=95%
Smiles
CCOC(=O)C=C1CCCCCCC1

Chemical Information

Ethyl cyclooctylideneacetate
CAS Number1903-24-8
PubChem CID14002565
IUPAC Nameethyl 2-cyclooctylideneacetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity196
SMILES
CCOC(=O)C=C1CCCCCCC1
InChI
InChI=1S/C12H20O2/c1-2-14-12(13)10-11-8-6-4-3-5-7-9-11/h10H,2-9H2,1H3
InChIKey
FMPNNLCEQAFVEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl cyclooctylideneacetate
CAS: 1903-24-8
CID: 14002565
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity196
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

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