CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1372.9 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 131.20 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 131.04048508 g/mol |
| Monoisotopic Mass | 131.04048508 g/mol |
| Topological Polar Surface Area | 60.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 124 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-(Methylsulfinyl)butanenitrile is a natural product found in Brassica oleracea with data available.