CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 172.94 Ų [M+H]+ 168.35 Ų [M-H]- |
|---|---|
| Kovats Retention Index | 2314 2300 2330 2300 |
COMPUTED DESCRIPTORS
| Molecular Weight | 301.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 301.16779360 g/mol |
| Monoisotopic Mass | 301.16779360 g/mol |
| Topological Polar Surface Area | 61.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 299 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol is an alkylbenzene.