Home Nitriles 4-Ethynylphenylacetonitrile

4-Ethynylphenylacetonitrile

CAS No.:
351002-90-9
Catalog Number:
AG003BVP
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$68
- +
5g
96%
In Stock USA
United States
$200
- +
10g
96%
In Stock USA
United States
$375
- +
25g
96%
In Stock USA
United States
$788
- +
Product Description
Catalog Number:
AG003BVP
Chemical Name:
4-Ethynylphenylacetonitrile
CAS Number:
351002-90-9
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
MDL Number:
MFCD05664204
IUPAC Name:
2-(4-ethynylphenyl)acetonitrile
InChI:
InChI=1S/C10H7N/c1-2-9-3-5-10(6-4-9)7-8-11/h1,3-6H,7H2
InChI Key:
CZUBOLAETAAHLA-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)C#C
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties