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6-ethenylquinoline

CAT: 0127-BUP08496-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08496-01Size:1 mg
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CAS Number
651025-06-8
Purity
=95%
Smiles
C(=C)C1=CC2=C(C=C1)N=CC=C2

Chemical Information

6-Ethenylquinoline
CAS Number651025-06-8
PubChem CID57572093
IUPAC Name6-ethenylquinoline
Molecular FormulaC11H9N
Molecular Weight155.20
XLogP3
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
C=CC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C11H9N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h2-8H,1H2
InChIKey
LBFCGFOMLOEOBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Ethenylquinoline
CAS: 651025-06-8
CID: 57572093
Formula: C11H9N
MW: 155.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.20
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass155.073499291
Monoisotopic Mass155.073499291
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
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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