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3-Ethoxy-2-cyclohexen-1-one

CAT: 0572-TRC-E937255-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E937255-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5323-87-5
Hazard Statement
No Data Available
Smiles
CCOC1=CC(=O)CCC1
Molecular Formula
C8H12O2
Molecular Weight
140.17
Shipping Conditions
Room Temperature

Chemical Information

3-Ethoxycyclohex-2-ene-1-one
CAS Number5323-87-5
PubChem CID79216
IUPAC Name3-ethoxycyclohex-2-en-1-one
Molecular FormulaC8H12O2
Molecular Weight140.18
XLogP1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity159
SMILES
CCOC1=CC(=O)CCC1
InChI
InChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3
InChIKey
JWCFJPLIRVYENQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxycyclohex-2-ene-1-one
CAS: 5323-87-5
CID: 79216
Formula: C8H12O2
MW: 140.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.18
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass140.083729621
Monoisotopic Mass140.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity159
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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