Home Nitriles 3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile

3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile

CAS No.:
3594-69-2
Catalog Number:
AG00I74F
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$177
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Product Description
Catalog Number:
AG00I74F
Chemical Name:
3,3-Dimethyl-2-oxo-cyclopentanecarbonitrile
CAS Number:
3594-69-2
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD00154841
IUPAC Name:
3,3-dimethyl-2-oxocyclopentane-1-carbonitrile
InChI:
InChI=1S/C8H11NO/c1-8(2)4-3-6(5-9)7(8)10/h6H,3-4H2,1-2H3
InChI Key:
AEQAVKREMWDWAE-UHFFFAOYSA-N
SMILES:
N#CC1CCC(C1=O)(C)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties