CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
|---|---|
| Kovats Retention Index | 753 744 |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 100.12 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 100.052429494 g/mol |
| Monoisotopic Mass | 100.052429494 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 84.1 |
| 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
Methyl crotonate is a natural product found in Annona muricata, Mangifera indica, and Carica papaya with data available.