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8-ethylquinoline

CAT: 0024-sc-351613ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-351613ASize:5 g
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CAS Number
19655-56-2

Chemical Information

Quinoline, 8-ethyl-
CAS Number19655-56-2
PubChem CID88185
IUPAC Name8-ethylquinoline
Molecular FormulaC11H11N
Molecular Weight157.21
XLogP2.9
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity144
SMILES
CCC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C11H11N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h3-8H,2H2,1H3
InChIKey
WSNATRDCOFYLCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoline, 8-ethyl-
CAS: 19655-56-2
CID: 88185
Formula: C11H11N
MW: 157.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight157.21
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass157.089149355
Monoisotopic Mass157.089149355
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity144
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