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] |
|---|---|
| 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.