2222-25-5
Product Name:
2H-Cyclohepta[b]furan-3-carboxylic acid, 5-bromo-8-hydroxy-7-methyl-2-oxo-, ethyl ester
Formula:
C13H11BrO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.13 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 325.97899 g/mol |
| Monoisotopic Mass | 325.97899 g/mol |
| Topological Polar Surface Area | 76.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 468 |
| 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 |