523-50-2
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [MSDSonline] |
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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 |
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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 |
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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.