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4-Cyanostyrene

CAT: 0926-DAA43551-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-DAA43551-01Size:5 g
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CAS Number
3435-51-6
MDL Number
MFCD00080445
Smiles
C=CC1=CC=C (C=C1) C#N
Molecular Formula
C9H7N
Molecular Weight
129.16 g/mol
Controlled
No

Chemical Information

4-Ethenylbenzonitrile
CAS Number3435-51-6
PubChem CID76967
IUPAC Name4-ethenylbenzonitrile
Molecular FormulaC9H7N
Molecular Weight129.16
XLogP2.8
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity155
SMILES
C=CC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2
InChIKey
SNTUCKQYWGHZPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethenylbenzonitrile
CAS: 3435-51-6
CID: 76967
Formula: C9H7N
MW: 129.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.16
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass129.057849228
Monoisotopic Mass129.057849228
Topological Polar Surface Area23.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity155
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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