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Home Nitriles 3-Phenylpropiolonitrile

3-Phenylpropiolonitrile

CAS No.:
935-02-4
Catalog Number:
AG003JVF
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$144
- +
5g
95%
In Stock USA
United States
$380
- +
10g
95%
In Stock USA
United States
$686
- +
25g
95%
In Stock USA
United States
$1478
- +
Product Description
Catalog Number:
AG003JVF
Chemical Name:
3-Phenylpropiolonitrile
CAS Number:
935-02-4
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
MDL Number:
MFCD19300770
IUPAC Name:
3-phenylprop-2-ynenitrile
InChI:
InChI=1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H
InChI Key:
IYXVSRXFGYDNEV-UHFFFAOYSA-N
SMILES:
N#CC#Cc1ccccc1
NSC Number:
71547
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.042g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.146g/mol
Monoisotopic Mass:
127.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Coalescence of 3-phenyl-propynenitrile on Cu(111) into interlocking pinwheel chains. The Journal of chemical physics 20111007
DFT study on the mechanisms of stereoselective C2-vinylation of 1-substituted imidazoles with 3-phenyl-2-propynenitrile. The journal of physical chemistry. A 20091015
Stereoselective C(2)-vinylation of 1-substituted imidazoles with 3-phenyl-2-propynenitrile. The Journal of organic chemistry 20081121
Properties