CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless mobile liquid; Fruity aroma |
|---|---|
| Boiling Point | 168.00 to 170.00 °C. @ 760.00 mm Hg |
| Solubility | very slightly |
| Density | 0.911-0.916 |
| Refractive Index | 1.423-1.429 |
| Kovats Retention Index | 939 953 947 948 |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.17 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.083729621 g/mol |
| Monoisotopic Mass | 128.083729621 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 106 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methyl 2E-hexenoate is a fatty acid ester.