CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 860 838 843 839 828.7 826 839 832 835 854 857 840 832 827 820 866 835 826 824 824 816 841 817 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 98.14 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 98.073164938 g/mol |
| Monoisotopic Mass | 98.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 64.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hexenal is a natural product found in Origanum sipyleum, Psidium guajava, and other organisms with data available.