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40983-58-2

40983-58-2 structural image
Product Name: METHYL (-)-SHIKIMATE
Formula: C8H12O5
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COMPUTED DESCRIPTORS

Molecular Weight 188.18 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 188.06847348 g/mol
Monoisotopic Mass 188.06847348 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 235
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate is a carbonyl compound.