Home Nitriles 3-(2,5-dioxopyrrolidin-1-yl)benzonitrile

3-(2,5-dioxopyrrolidin-1-yl)benzonitrile

CAS No.:
72601-53-7
Catalog Number:
AG019LIJ
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
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Product Description
Catalog Number:
AG019LIJ
Chemical Name:
3-(2,5-dioxopyrrolidin-1-yl)benzonitrile
CAS Number:
72601-53-7
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD00176070
IUPAC Name:
3-(2,5-dioxopyrrolidin-1-yl)benzonitrile
InChI:
InChI=1S/C11H8N2O2/c12-7-8-2-1-3-9(6-8)13-10(14)4-5-11(13)15/h1-3,6H,4-5H2
InChI Key:
VBTMDICSVDXPOD-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1C(=O)CCC1=O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties