CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 237.00 to 239.00 °C. @ 760.00 mm Hg |
| Melting Point | 36.5 °C |
| Solubility | 1000000 mg/L (at 20 °C) |
| Dissociation Constants | 3.59 (at 0 °C) |
COMPUTED DESCRIPTORS
| Molecular Weight | 102.09 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.031694049 g/mol |
| Monoisotopic Mass | 102.031694049 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 95.1 |
| 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
Acetoacetic acid is a 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. It has a role as a metabolite. It is a ketone body and a 3-oxo fatty acid. It is functionally related to a butyric acid. It is a conjugate acid of an acetoacetate. It is a tautomer of a 3-hydroxy-3-butenoic acid.