72568-47-9
Product Name:
ETHYL 6-AMINO-5-CYANO-2-METHYL-4-PHENYL-4H-PYRAN-3-CARBOXYLATE
Formula:
C16H16N2O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 37.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 284.31 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 284.11609238 g/mol |
| Monoisotopic Mass | 284.11609238 g/mol |
| Topological Polar Surface Area | 85.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |