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4-Ethylbiphenyl

CAT: 0024-sc-232656Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-232656Size:5 g
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CAS Number
5707-44-8

Chemical Information

4-Ethylbiphenyl
CAS Number5707-44-8
PubChem CID79786
IUPAC Name1-ethyl-4-phenylbenzene
Molecular FormulaC14H14
Molecular Weight182.26
XLogP5.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity147
SMILES
CCC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKey
SRQOBNUBCLPPPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethylbiphenyl
CAS: 5707-44-8
CID: 79786
Formula: C14H14
MW: 182.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.26
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass182.109550447
Monoisotopic Mass182.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity147
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