CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2023 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 250.29 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 250.12050905 g/mol |
| Monoisotopic Mass | 250.12050905 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 275 |
| 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
Monohexyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol. It is functionally related to a hexan-1-ol.