CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 200 - 202 °C |
| Solubility | 26.3 mg/mL at 18 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 130.10 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 130.02660867 g/mol |
| Monoisotopic Mass | 130.02660867 g/mol |
| Topological Polar Surface Area | 74.6 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 168 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Mesaconic acid is a dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. It has a role as a human metabolite and a plant metabolite. It is a dicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to a fumaric acid. It is a conjugate acid of a mesaconate(2-).