CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1293 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 174.31 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 174.10783637 g/mol |
| Monoisotopic Mass | 174.10783637 g/mol |
| Topological Polar Surface Area | 42.4 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 102 |
| 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
Octanethioic acid, S-methyl ester is a natural product found in Durio zibethinus with data available.