96561-34-1
Product Name:
(2R,3S)-3-(1,3-Benzodioxol-5-yl)-3-hydroxy-2-[1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl]propionic acid
Formula:
C18H13NO7
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COMPUTED DESCRIPTORS
| Molecular Weight | 355.3 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 355.06920175 g/mol |
| Monoisotopic Mass | 355.06920175 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 584 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |