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Home Nitriles 3-Oxopentanenitrile

3-Oxopentanenitrile

CAS No.:
33279-01-5
Catalog Number:
AG003JUQ
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
≥96%
In Stock USA
United States
$193
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Product Description
Catalog Number:
AG003JUQ
Chemical Name:
3-Oxopentanenitrile
CAS Number:
33279-01-5
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD07367087
IUPAC Name:
3-oxopentanenitrile
InChI:
InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2-3H2,1H3
InChI Key:
KOYWUYIBEXFRFH-UHFFFAOYSA-N
SMILES:
CCC(=O)CC#N
Properties
Complexity:
109  
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:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Efficient preparation of (R)-3-hydroxypentanenitrile with high enantiomeric excess by enzymatic reduction with subsequent enhancement of the optical purity by lipase-catalyzed ester hydrolysis. Bioscience, biotechnology, and biochemistry 20120101
Glucosinolate breakdown products as insect fumigants and their effect on carbon dioxide emission of insects. BMC ecology 20020101
Properties