CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 934.4 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 126.11 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 126.031694049 g/mol |
| Monoisotopic Mass | 126.031694049 g/mol |
| Topological Polar Surface Area | 39.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 111 |
| 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 furan-3-carboxylate is a natural product found in Nicotiana tabacum with data available.