Home Nitriles 3-(1H-Pyrazol-1-yl)propanenitrile

3-(1H-Pyrazol-1-yl)propanenitrile

CAS No.:
88393-88-8
Catalog Number:
AG004FDG
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
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Product Description
Catalog Number:
AG004FDG
Chemical Name:
3-(1H-Pyrazol-1-yl)propanenitrile
CAS Number:
88393-88-8
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD02755748
IUPAC Name:
3-pyrazol-1-ylpropanenitrile
InChI:
InChI=1S/C6H7N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,5H2
InChI Key:
SJXLTSDYZRWRQH-UHFFFAOYSA-N
SMILES:
N#CCCn1cccn1
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties