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117-02-2

117-02-2 structural image
Product Name: 1,3-DIHYDROXY-2-METHYLANTHRAQUINONE
Formula: C15H10O4
Synonyms: 1,3-Dihydroxy-2-methyl-9,10-anthracenedione;1,3-Dihydroxy-2-methylanthraquinone
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H351:Carcinogenicity
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 254.24 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 254.05790880 g/mol
Monoisotopic Mass 254.05790880 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 405
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

Rubiadin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. It has a role as an antibacterial agent, an antioxidant, a hepatoprotective agent and a plant metabolite.