Home Nitriles 3-Ethynyl-benzonitrile

3-Ethynyl-benzonitrile

CAS No.:
171290-53-2
Catalog Number:
AG00AB0R
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$163
- +
1g
98%
In Stock USA
United States
$400
- +
5g
98%
In Stock USA
United States
$1200
- +
10g
98%
In Stock USA
United States
$2000
- +
Product Description
Catalog Number:
AG00AB0R
Chemical Name:
3-Ethynyl-benzonitrile
CAS Number:
171290-53-2
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
MDL Number:
MFCD08669429
IUPAC Name:
3-ethynylbenzonitrile
InChI:
InChI=1S/C9H5N/c1-2-8-4-3-5-9(6-8)7-10/h1,3-6H
InChI Key:
OFXNEEFXYBSZJQ-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)C#N
Properties
Complexity:
199  
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  
Properties