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19367-38-5

19367-38-5 structural image
Product Name: Methyl 4-hydroxycinnamate
Formula: C10H10O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1698

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
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 178.18 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 178.062994177 g/mol
Monoisotopic Mass 178.062994177 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 190
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as a melanin synthesis inhibitor, a fungal metabolite, an anti-inflammatory agent, an antifungal agent and a plant metabolite. It is a cinnamate ester, a member of phenols and a methyl ester. It is functionally related to a 4-coumaric acid.