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19870-46-3

19870-46-3 structural image
Product Name: CYNARIN
Formula: C25H24O12
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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
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 516.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 9
Exact Mass 516.12677620 g/mol
Monoisotopic Mass 516.12677620 g/mol
Topological Polar Surface Area 211 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 887
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,3-Dicaffeoylquinic acid is a natural product found in Mikania hirsutissima, Xanthium strumarium, and other organisms with data available.