CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1049.3 1043 1043 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 136.19 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 136.100048391 g/mol |
| Monoisotopic Mass | 136.100048391 g/mol |
| Topological Polar Surface Area | 25.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 91.3 |
| 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
2-Isobutylpyrazine is a natural product found in Coffea arabica with data available.