CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1089 |
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COMPUTED DESCRIPTORS
Molecular Weight | 160.17 g/mol |
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XLogP3 | 0.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 160.07355886 g/mol |
Monoisotopic Mass | 160.07355886 g/mol |
Topological Polar Surface Area | 52.6 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 125 |
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
1,3-diacetoxypropane is an acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid. It has a role as a metabolite. It is a diester and an acetate ester. It is functionally related to a propane-1,3-diol.