903850-90-8
Product Name:
(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate
Formula:
C23H23NO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 393.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 393.15762283 g/mol |
| Monoisotopic Mass | 393.15762283 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 648 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |