CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2236 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 278.34 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 278.15180918 g/mol |
| Monoisotopic Mass | 278.15180918 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 301 |
| 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
Monooctyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol. It has a role as a human xenobiotic metabolite. It is functionally related to an octan-1-ol.