Home Nitriles 4-(5-oxomorpholin-3-yl)benzonitrile

4-(5-oxomorpholin-3-yl)benzonitrile

CAS No.:
1391211-17-8
Catalog Number:
AG01C0K3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01C0K3
Chemical Name:
4-(5-oxomorpholin-3-yl)benzonitrile
CAS Number:
1391211-17-8
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD22536950
IUPAC Name:
4-(5-oxomorpholin-3-yl)benzonitrile
InChI:
InChI=1S/C11H10N2O2/c12-5-8-1-3-9(4-2-8)10-6-15-7-11(14)13-10/h1-4,10H,6-7H2,(H,13,14)
InChI Key:
MDDAVJJHQXALJN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1COCC(=O)N1
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties