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21392-57-4

21392-57-4 structural image
Product Name: 5,7-DIMETHOXYFLAVONE
Formula: C17H14O4
Synonyms: 5,7-Dimethoxy-2-phenyl-4H-1-benzopyran-4-one;Chrysin dimethyl ether
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 154 °C
Collision Cross Section 160.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2588

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.

COMPUTED DESCRIPTORS

Molecular Weight 282.29 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 282.08920892 g/mol
Monoisotopic Mass 282.08920892 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 411
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

Chrysin 5,7-dimethyl ether is a dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. It has a role as a plant metabolite. It is functionally related to a chrysin.