Home Nitriles 2-Oxocyclohexanecarbonitrile

2-Oxocyclohexanecarbonitrile

CAS No.:
4513-77-3
Catalog Number:
AG00DCL7
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$48
- +
5g
96%
In Stock USA
United States
$175
- +
10g
96%
In Stock USA
United States
$319
- +
25g
96%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG00DCL7
Chemical Name:
2-Oxocyclohexanecarbonitrile
CAS Number:
4513-77-3
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00154839
IUPAC Name:
2-oxocyclohexane-1-carbonitrile
InChI:
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2
InChI Key:
RWMVCOUKVCLWIC-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC1=O
NSC Number:
2841
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties