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15345-89-8

15345-89-8 structural image
Product Name: DIHYDROKAVAIN
Formula: C14H12O3
Synonyms: (E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one;5,6-Dehydrokavain;Demethoxyyangonin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 138 - 140 °C
Kovats Retention Index 2353.5

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
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 228.24 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 228.078644241 g/mol
Monoisotopic Mass 228.078644241 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 371
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

5,6-Dehydrokawain is an aromatic ether and a member of 2-pyranones.