Home Nitriles 2-(5-Oxopyrrolidin-2-yl)acetonitrile

2-(5-Oxopyrrolidin-2-yl)acetonitrile

CAS No.:
98134-78-2
Catalog Number:
AG00J3EV
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
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Product Description
Catalog Number:
AG00J3EV
Chemical Name:
2-(5-Oxopyrrolidin-2-yl)acetonitrile
CAS Number:
98134-78-2
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD09040736
IUPAC Name:
2-(5-oxopyrrolidin-2-yl)acetonitrile
InChI:
InChI=1S/C6H8N2O/c7-4-3-5-1-2-6(9)8-5/h5H,1-3H2,(H,8,9)
InChI Key:
FECZAWYEEQYLTK-UHFFFAOYSA-N
SMILES:
C(C#N)C1CCC(=O)N1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties