2D structurePubChem CID 53481587
Identité
3,5,6-Trihydroxyindoline
Non indiqué · C8H9NO3
01Identité
| Lazychem ID | LC-40553 |
|---|---|
| CAS RN | Non indiqué |
| PubChem CID | 53481587 |
| Molecular formula | C8H9NO3 |
| Molecular weight | 167.16 g/mol |
| IUPAC name | 2,3-dihydro-1H-indole-3,5,6-triol |
| InChIKey | XZENFLCMUCFEMQ-UHFFFAOYSA-N |
02Structure et stéréochimie
2D structurePubChem CID 53481587
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C1C(C2=CC(=C(C=C2N1)O)O)O |
|---|---|
| InChI | Non indiqué |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Statut en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
06Sources
- S01PubChem CID 53481587
Structure and machine-readable chemical identifiers.