CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 217.00 °C. @ 760.00 mm Hg |
| Melting Point | 28.00 to 34.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
| Kovats Retention Index | 1980 1984 1961.1 1933 1941 1983 1951 1967 1967 1938 2002 1967 1962 1970 1969 1971 1922 |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.14 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068079557 g/mol |
| Monoisotopic Mass | 114.068079557 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 94.7 |
| 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
(2E)-hexenoic acid is the (E)-stereoisomer of hexenoic acid. It has a role as a metabolite. It is a conjugate acid of a (2E)-hexenoate.