CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1175 1178 1167 1180 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 166.22 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 166.099379685 g/mol |
| Monoisotopic Mass | 166.099379685 g/mol |
| Topological Polar Surface Area | 30.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 163 |
| 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
3-Methyl-1-(3-methylfuran-2-yl)butan-1-one is a natural product found in Leonurus japonicus, Perilla frutescens, and Elsholtzia ciliata with data available.