CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 934.5 |
|---|
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 | 132.16 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 132.078644241 g/mol |
| Monoisotopic Mass | 132.078644241 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 80.4 |
| 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
Methyl 4-methoxybutanoate is a natural product found in Peristeria elata with data available.