2-(oxetan-3-yl)propanenitrile


Chemical Name: 2-(oxetan-3-yl)propanenitrile
CAS Number: 1782884-74-5
Product Number: AG01DTEQ(AG01DTEQ)
Synonyms:
MDL No:
Molecular Formula: C6H9NO
Molecular Weight: 111.1418

Identification/Properties


Computed Properties
Molecular Weight:
111.144g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
111.068g/mol
Monoisotopic Mass:
111.068g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
120
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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