80041-99-2
Product Name:
METHYL 2-([4-HYDROXYDIHYDRO-2(3H)-ISOXAZOLYL]CARBONYL)BENZENECARBOXYLATE
Formula:
C12H13NO5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >37.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 251.23 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 251.07937252 g/mol |
| Monoisotopic Mass | 251.07937252 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 332 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |