CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1729 1719 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 192.25 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 192.115029749 g/mol |
| Monoisotopic Mass | 192.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 299 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-N-Butyl-4,5-dihydrophthalide is a natural product found in Angelica sinensis, Apium graveolens, and other organisms with data available.