CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | Chloroform > 100 (mg/mL) |
|---|---|
| Vapor Pressure | 0.000632 [mmHg] |
| LogP | 0.84 |
| Stability/Shelf Life | Bulk: 4-Ipomeanol is stable when stored at freezer temperatures (-18 °C) Solution: Aqueous solutions are stable for at least 24 hr over a pH range of 3 to 8. |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: +7.86 DEG @ 25 °C/D (CARBON TETRACHLORIDE, 1.17%); MAXIMUM ABSORPTION (METHYL ALCOHOL): 211 NM (E= 6,100) SHOULDER; 251 NM (E= 2,970) |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.19 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 168.078644241 g/mol |
| Monoisotopic Mass | 168.078644241 g/mol |
| Topological Polar Surface Area | 50.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 156 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-Ipomeanol is an aromatic ketone.