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4-Cyanostilbene

CAT: 0024-sc-485715Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485715Size:1 g
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CAS Number
13041-79-7

Chemical Information

4-Cyanostilbene
CAS Number13041-79-7
PubChem CID5375774
IUPAC Name4-[(E)-2-phenylethenyl]benzonitrile
Molecular FormulaC15H11N
Molecular Weight205.25
XLogP4.2
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity269
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6+
InChIKey
WQUHPLQCUQJSQW-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyanostilbene
CAS: 13041-79-7
CID: 5375774
Formula: C15H11N
MW: 205.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass205.089149355
Monoisotopic Mass205.089149355
Topological Polar Surface Area23.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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