482-27-9
Product Name:
ISOPIMPINELLIN
Formula:
C13H10O5
Synonyms:
4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one;4,9-Dimethoxyfuro[3,2-g]chromen-7-one;5,8-Dimethoxy-6,7-furanocoumarin;5,8-Dimethoxypsoralen;Isoimpinellin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Light yellow fibers |
| Odor | Odorless |
| Melting Point | 151 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides. |
| Collision Cross Section | 146.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2250 2240 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 246.21 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.05282342 g/mol |
| Monoisotopic Mass | 246.05282342 g/mol |
| Topological Polar Surface Area | 57.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 366 |
| 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
Isopimpinellin is a member of psoralens.