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334709-34-1

334709-34-1 structural image
Product Name: Cyclohexanone Impurity 2
Formula: C7H12O6
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COMPUTED DESCRIPTORS

Molecular Weight 192.17 g/mol
XLogP3 -3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 192.06338810 g/mol
Monoisotopic Mass 192.06338810 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 217
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-epi-valiolone is a member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted. It has a role as a bacterial metabolite. It is a cyclitol and an alicyclic ketone.