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4-Ethylphenetole

CAT: 0024-sc-486834Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-486834Size:25 mL
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CAS Number
1585-06-4

Chemical Information

p-Ethylphenetole
CAS Number1585-06-4
PubChem CID74107
IUPAC Name1-ethoxy-4-ethylbenzene
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP3.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity93
SMILES
CCC1=CC=C(C=C1)OCC
InChI
InChI=1S/C10H14O/c1-3-9-5-7-10(8-6-9)11-4-2/h5-8H,3-4H2,1-2H3
InChIKey
BQBROHBMIBOPFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Ethylphenetole
CAS: 1585-06-4
CID: 74107
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity93
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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