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56816-01-4

56816-01-4 structural image
Product Name: Ethyl (S)-3-hydroxybutyrate
Formula: C6H12O3
Synonyms: Ethyl (3S)-3-hydroxybutanoate
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 132.16 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
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 90.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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 (S)-3-hydroxybutyrate is a natural product found in Dactylanthus taylorii with data available.