Hexanoic acid, 6-cyano-3,5-dihydroxy-, 1,1-dimethylethyl ester,[S-(R*,S*)]-


Chemical Name: Hexanoic acid, 6-cyano-3,5-dihydroxy-, 1,1-dimethylethyl ester,[S-(R*,S*)]-
CAS Number: 186508-94-1
Product Number: AG0075LQ(AGN-PC-0QFK6Y)
Synonyms:
MDL No:
Molecular Formula: C11H19NO4
Molecular Weight: 229.2729

Identification/Properties


Computed Properties
Molecular Weight:
229.276g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
229.131g/mol
Monoisotopic Mass:
229.131g/mol
Topological Polar Surface Area:
90.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
273
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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