CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2079 2077.5 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 292.5 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 14 |
| Exact Mass | 292.240230259 g/mol |
| Monoisotopic Mass | 292.240230259 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 314 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
9,12,15-Octadecatrienoic acid, methyl ester is a natural product found in Azadirachta indica, Achillea millefolium, and other organisms with data available.