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778649-18-6

778649-18-6 structural image
Product Name: BUTYROLACETONE 3
Formula: C9H12O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 184.19 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 184.07355886 g/mol
Monoisotopic Mass 184.07355886 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 256
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

PRODUCT INTRODUCTION

description

(2S,3R)-4-methylene-5-oxo-2-propyl-3-oxolanecarboxylic acid is a gamma-lactone.