2199-60-2
Product Name:
5-FORMYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER
Formula:
C12H15NO5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 20.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 253.25 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 253.09502258 g/mol |
| Monoisotopic Mass | 253.09502258 g/mol |
| Topological Polar Surface Area | 85.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 330 |
| 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 |