87099-74-9
Product Name:
Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)-
Formula:
C16H18O8
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 338.31 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 338.10016753 g/mol |
| Monoisotopic Mass | 338.10016753 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 496 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-p-Coumaroylquinic acid, (Z)- is a natural product found in Onobrychis viciifolia and Hypericum perforatum with data available.