CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1181 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 174.19 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 174.08920892 g/mol |
| Monoisotopic Mass | 174.08920892 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 135 |
| 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
1,4-diacetoxybutane is an acetate ester obtained by the formal condensation of the two hydroxy groups of butane-1,4-diol with two molecules of acetic acid It has a role as a metabolite. It is functionally related to a butane-1,4-diol.