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523-50-2

523-50-2 structural image
Product Name: 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran
Formula: C11H6O3
Synonyms: 2H-Furo[2,3-h]-1-benzopyran-2-one;2-Oxo-(2H)-furo(2,3-h)-1-benzopyran;Isopsoralen;NSC 404563
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [MSDSonline]
Color/Form White crystalline solid
Odor Slight hay-like odor
Boiling Point 360.00 to 362.00 °C. @ 760.00 mm Hg
Melting Point 140 °C
Solubility In water, 20 mg/L
Vapor Pressure 0.0000224 [mmHg]
LogP log Kow = 2.08
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Kovats Retention Index 1774 1835
Chemical Classes Biological Agents -> Plant Toxins

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 186.16 g/mol
XLogP3 2
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

Angelicin is a furanocoumarin.