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PROPIONITRILE-D5

CAS No.:
10419-75-7
Catalog Number:
AG008T11
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008T11
Chemical Name:
PROPIONITRILE-D5
CAS Number:
10419-75-7
MDL Number:
MFCD00190504
IUPAC Name:
2,2,3,3,3-pentadeuteriopropanenitrile
InChI:
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1D3,2D2
InChI Key:
FVSKHRXBFJPNKK-ZBJDZAJPSA-N
Properties
Complexity:
38.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
60.074g/mol
Formal Charge:
0
Heavy Atom Count:
4  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5  
Molecular Weight:
60.111g/mol
Monoisotopic Mass:
60.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Mechanism of [m+h]+ formation in atmospheric pressure photoionization mass spectrometry: identification of propionitrile in acetonitrile with high mass accuracy measurement and tandem mass spectrometry and evidence for its involvement in the protonation phenomenon. Journal of the American Society for Mass Spectrometry 20081101
Properties