CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 140 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 516.4 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 516.12677620 g/mol |
| Monoisotopic Mass | 516.12677620 g/mol |
| Topological Polar Surface Area | 211 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 887 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4,5-di-O-caffeoylquinic acid is a quinic acid.