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999-10-0

999-10-0 structural image
Product Name: Ethyl 4-hydroxybutanoate
Formula: C6H12O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1022 1022 1022

COMPUTED DESCRIPTORS

Molecular Weight 132.16 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 132.078644241 g/mol
Monoisotopic Mass 132.078644241 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 80.4
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

PRODUCT INTRODUCTION

description

Ethyl 4-hydroxybutanoate is a metabolite found in or produced by Saccharomyces cerevisiae.