CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 162.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|---|
| Kovats Retention Index | 2570.9 |
COMPUTED DESCRIPTORS
| Molecular Weight | 284.31 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.10485899 g/mol |
| Monoisotopic Mass | 284.10485899 g/mol |
| Topological Polar Surface Area | 44.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 364 |
| 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
5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one is a member of flavonoids and an ether.