Home Nitriles 3-ethenylbenzonitrile

3-ethenylbenzonitrile

CAS No.:
5338-96-5
Catalog Number:
AG019SCU
Molecular Formula:
C9H7N
Molecular Weight:
129.1586
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Product Description
Catalog Number:
AG019SCU
Chemical Name:
3-ethenylbenzonitrile
CAS Number:
5338-96-5
Molecular Formula:
C9H7N
Molecular Weight:
129.1586
MDL Number:
MFCD00671744
IUPAC Name:
3-ethenylbenzonitrile
InChI:
InChI=1S/C9H7N/c1-2-8-4-3-5-9(6-8)7-10/h2-6H,1H2
InChI Key:
FDIHXBYYQCPWDX-UHFFFAOYSA-N
SMILES:
C=Cc1cccc(c1)C#N
NSC Number:
3446
Properties
Complexity:
163  
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:
2.5  
Properties