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4-CYANOSTYRENE

CAS No.:
3435-51-6
Catalog Number:
AG003L9O
Molecular Formula:
C9H7N
Molecular Weight:
129.1586
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Product Description
Catalog Number:
AG003L9O
Chemical Name:
4-CYANOSTYRENE
CAS Number:
3435-51-6
Molecular Formula:
C9H7N
Molecular Weight:
129.1586
MDL Number:
MFCD00080445
IUPAC Name:
4-ethenylbenzonitrile
InChI:
InChI=1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2
InChI Key:
SNTUCKQYWGHZPK-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)C#N
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.058g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.162g/mol
Monoisotopic Mass:
129.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Skeletal relaxation effect on the charge transfer state formation of 4-dimethylamino,4'-cyanostilbene. The journal of physical chemistry. A 20060720
Properties