Butanenitrile, 3-hydroxy-3-methyl-


Chemical Name: Butanenitrile, 3-hydroxy-3-methyl-
CAS Number: 13635-04-6
Product Number: AG0011SH(AGN-PC-0LDEWW)
Synonyms:
MDL No:
Molecular Formula: C5H9NO
Molecular Weight: 99.1311

Identification/Properties


Properties
BP:
114-116 °C30 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.430
Computed Properties
Molecular Weight:
99.133g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
99.068g/mol
Monoisotopic Mass:
99.068g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
97.9
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

Safety Information


NMR Spectrum


Other Analytical Data


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