Home Nitriles 2-(3-oxopiperazin-1-yl)acetonitrile

2-(3-oxopiperazin-1-yl)acetonitrile

CAS No.:
1016823-35-0
Catalog Number:
AG01AJF5
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
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Product Description
Catalog Number:
AG01AJF5
Chemical Name:
2-(3-oxopiperazin-1-yl)acetonitrile
CAS Number:
1016823-35-0
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD09944049
IUPAC Name:
2-(3-oxopiperazin-1-yl)acetonitrile
InChI:
InChI=1S/C6H9N3O/c7-1-3-9-4-2-8-6(10)5-9/h2-5H2,(H,8,10)
InChI Key:
WPVIOWUUAXJYOS-UHFFFAOYSA-N
SMILES:
N#CCN1CCNC(=O)C1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties