CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 194.18 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 194.05790880 g/mol |
| Monoisotopic Mass | 194.05790880 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 206 |
| 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
3-(benzyloxy)-3-oxopropanoic acid is a dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol. It has a role as a human urinary metabolite. It is a dicarboxylic acid monoester and a benzyl ester. It is functionally related to a malonic acid and a benzyl alcohol.