Home Nitriles 2,6-dioxocyclohexanecarbonitrile

2,6-dioxocyclohexanecarbonitrile

CAS No.:
42038-85-7
Catalog Number:
AG019F2M
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$480
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Product Description
Catalog Number:
AG019F2M
Chemical Name:
2,6-dioxocyclohexanecarbonitrile
CAS Number:
42038-85-7
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD15195182
IUPAC Name:
2,6-dioxocyclohexane-1-carbonitrile
InChI:
InChI=1S/C7H7NO2/c8-4-5-6(9)2-1-3-7(5)10/h5H,1-3H2
InChI Key:
DKSUSVSHXVOWDZ-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)CCCC1=O
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties