70672-06-9
Product Name:
Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, methyl ester
Formula:
C21H14O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 346.3 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 346.08412354 g/mol |
| Monoisotopic Mass | 346.08412354 g/mol |
| Topological Polar Surface Area | 72.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 701 |
| 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 |