Butanenitrile, 4-hydroxy-


Chemical Name: Butanenitrile, 4-hydroxy-
CAS Number: 628-22-8
Product Number: AG00EBCN(AGN-PC-008TJD)
Synonyms:
MDL No:
Molecular Formula: C4H7NO
Molecular Weight: 85.1045

Identification/Properties


Computed Properties
Molecular Weight:
85.106g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
85.053g/mol
Monoisotopic Mass:
85.053g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
61.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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