COMPUTED DESCRIPTORS
| Molecular Weight | 184.23 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 184.109944368 g/mol |
| Monoisotopic Mass | 184.109944368 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 226 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-(1-Methylethyl)-6-oxo-2-heptenoic acid is a natural product found in Nicotiana tabacum with data available.