25742-68-1
Product Name:
3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)
Formula:
C5H5NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 127.10 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 127.026943022 g/mol |
| Monoisotopic Mass | 127.026943022 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 115 |
| 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 |