Home Nitriles 3-Oxo-3-(2-pyridinyl)propanenitrile

3-Oxo-3-(2-pyridinyl)propanenitrile

CAS No.:
54123-21-6
Catalog Number:
AG00DA05
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$100
- +
1g
98%
1 week
United States
$163
- +
Product Description
Catalog Number:
AG00DA05
Chemical Name:
3-Oxo-3-(2-pyridinyl)propanenitrile
CAS Number:
54123-21-6
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD06656806
IUPAC Name:
3-oxo-3-pyridin-2-ylpropanenitrile
InChI:
InChI=1S/C8H6N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4H2
InChI Key:
POACVIKYJGGGPA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccccn1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties