HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 48708Generated: October 27, 2026
Butanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)-
https://huagongshe.com/en/chemical/48708
Identifiers & Physical Properties
| CAS No. | 42406-53-1 |
|---|
| Molecular formula | C12H9NO6 |
|---|
| Average molar mass | 263.2 g/mol |
|---|
| Monoisotopic mass | 263.04298701 g/mol |
|---|
| SMILES | O=C(O)C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O |
|---|
| InChIKey | JHEGVHCZUULIPW-QMMMGPOBSA-N |
|---|
| PubChem CID | 48708 |
|---|
| DTXSID | DTXSID40195207 |
|---|
Chemical & Physical Properties
| XLogP | 0 |
|---|
| Topological polar surface area | 112 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 19 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 422 |
|---|
