Home Nitriles 3-(2-Oxopyrrolidin-1-yl)benzonitrile

3-(2-Oxopyrrolidin-1-yl)benzonitrile

CAS No.:
939999-23-2
Catalog Number:
AG00IHWR
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00IHWR
Chemical Name:
3-(2-Oxopyrrolidin-1-yl)benzonitrile
CAS Number:
939999-23-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD09950471
IUPAC Name:
3-(2-oxopyrrolidin-1-yl)benzonitrile
InChI:
InChI=1S/C11H10N2O/c12-8-9-3-1-4-10(7-9)13-6-2-5-11(13)14/h1,3-4,7H,2,5-6H2
InChI Key:
WYBNXZKAPWZJRJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCCC1=O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties