3096-76-2
Product Name:
3-oxo-1,3-dihydro-benzo[c]isoxazole-4-carboxylic acid
Formula:
C8H5NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 179.13 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 179.02185764 g/mol |
| Monoisotopic Mass | 179.02185764 g/mol |
| Topological Polar Surface Area | 75.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 253 |
| 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 |