CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid |
|---|---|
| Density | 0.912-0.922 (20°) |
| Refractive Index | 1.422-1.428 |
| Kovats Retention Index | 920 920 921 910 913 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.17 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.083729621 g/mol |
| Monoisotopic Mass | 128.083729621 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 106 |
| 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
3-Hexenoic acid, methyl ester is a natural product found in Annona muricata with data available.