Home Other Building Blocks 2-cyano-N-(prop-2-yn-1-yl)acetamide

2-cyano-N-(prop-2-yn-1-yl)acetamide

CAS No.:
268222-23-7
Catalog Number:
AG019W38
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019W38
Chemical Name:
2-cyano-N-(prop-2-yn-1-yl)acetamide
CAS Number:
268222-23-7
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD09930675
IUPAC Name:
2-cyano-N-prop-2-ynylacetamide
InChI:
InChI=1S/C6H6N2O/c1-2-5-8-6(9)3-4-7/h1H,3,5H2,(H,8,9)
InChI Key:
UWMHFSKISKQAEA-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)CC#N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties