Home Nitriles 4-Oxo-1-(4-pyridinyl)cyclohexanecarbonitrile

4-Oxo-1-(4-pyridinyl)cyclohexanecarbonitrile

CAS No.:
1240620-56-7
Catalog Number:
AG000LHS
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$566
- +
1g
97%
1 week
United States
$1357
- +
Product Description
Catalog Number:
AG000LHS
Chemical Name:
4-Oxo-1-(4-pyridinyl)cyclohexanecarbonitrile
CAS Number:
1240620-56-7
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD16988822
IUPAC Name:
4-oxo-1-pyridin-4-ylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C12H12N2O/c13-9-12(5-1-11(15)2-6-12)10-3-7-14-8-4-10/h3-4,7-8H,1-2,5-6H2
InChI Key:
LLQHEIIYYFSOMF-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(=O)CC1)c1ccncc1
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties