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2161-86-6

2161-86-6 structural image
Product Name: 1-(3-ACETYL-2,4,6-TRIHYDROXYPHENYL)ETHAN-1-ONE
Formula: C10H10O5
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 210.18 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 210.05282342 g/mol
Monoisotopic Mass 210.05282342 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 249
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

2,4-diacetylphloroglucinol is a benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. It has a role as a bacterial metabolite and an antifungal agent. It is a diketone, an aromatic ketone, a methyl ketone and a benzenetriol. It is functionally related to a phloroglucinol. It is a conjugate acid of a 2,4-diacetylphloroglucinol(1-).