CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 151 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
|---|---|
| Kovats Retention Index | 1803.8 |
COMPUTED DESCRIPTORS
| Molecular Weight | 221.25 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 221.10519334 g/mol |
| Monoisotopic Mass | 221.10519334 g/mol |
| Topological Polar Surface Area | 47.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 257 |
| 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
Butylone is a butanone.