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56024-44-3

56024-44-3 structural image
Product Name: Methyl 3-(4-Hydroxy-3-methoxyphenyl)propionate
Formula: C11H14O4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1644

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
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 210.23 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 210.08920892 g/mol
Monoisotopic Mass 210.08920892 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 205
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

Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate is a natural product found in Dianthus longicalyx and Zingiber officinale with data available.