4935-93-7
Product Name:
4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)-
Formula:
C15H10O8
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 166.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 318.23 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 318.03756727 g/mol |
| Monoisotopic Mass | 318.03756727 g/mol |
| Topological Polar Surface Area | 148 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 494 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |