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66-97-7

66-97-7 structural image
Product Name: Psoralen
Formula: C11H6O3
Synonyms: 6,7-Furanocoumarin;7H-Furo[3,2-g]benzopyran-7-one;Ficusin;Furo[3,2-g]coumarin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from ether
Boiling Point 362.00 to 363.00 °C. @ 760.00 mm Hg
Melting Point 171 °C
Solubility In water, 65.16 mg/L at 25 °C
LogP log Kow = 1.67
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions: Carbon oxides
Kovats Retention Index 1805

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 186.16 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 186.031694049 g/mol
Monoisotopic Mass 186.031694049 g/mol
Topological Polar Surface Area 39.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 284
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

Psoralen is the simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. It has a role as a plant metabolite.

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