CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 294.00 to 295.00 °C. @ 760.00 mm Hg |
| Melting Point | 30 °C |
| Solubility | Insoluble in water; soluble in ether, acetone and glacial acetic acid |
| Density | 1.124-1.135 |
| Refractive Index | 1.536-1.538 |
| Collision Cross Section | 146.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1682 1651 1676 1645 1642 1675 |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.24 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 222.08920892 g/mol |
| Monoisotopic Mass | 222.08920892 g/mol |
| Topological Polar Surface Area | 36.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 243 |
| 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
Apiole is a member of benzodioxoles. It has a role as a metabolite.