CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless oily liquid; mild, deep-sweet, herbaceous-winey, discreetly floral balsamic odour |
|---|---|
| Boiling Point | 285.00 to 287.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water; soluble in oils |
| Density | 1.011-1.019 |
| Refractive Index | 1.514-1.520 |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.26 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 204.115029749 g/mol |
| Monoisotopic Mass | 204.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 221 |
| 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
2-Butenoic acid, 3-methyl-, 2-phenylethyl ester is a natural product found in Callitropsis nootkatensis with data available.