52459-22-0
Product Name:
1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,4-methyl1-(phenylmethyl)ester(9CI)
Formula:
C16H17NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 287.31 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 287.11575802 g/mol |
| Monoisotopic Mass | 287.11575802 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 379 |
| 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 |