Home Nitriles Pentanenitrile, 5-oxo-

Pentanenitrile, 5-oxo-

CAS No.:
3350-74-1
Catalog Number:
AG007F6W
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
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Product Description
Catalog Number:
AG007F6W
Chemical Name:
Pentanenitrile, 5-oxo-
CAS Number:
3350-74-1
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD24232479
IUPAC Name:
5-oxopentanenitrile
InChI:
InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h5H,1-3H2
InChI Key:
FNEARBHZFXEPFD-UHFFFAOYSA-N
SMILES:
O=CCCCC#N
Properties
Complexity:
89.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties