2D structurePubChem CID 95365
Azonosítás
3-Phenylphthalide
Nincs megadva · C14H10O2
01Azonosítás
| Lazychem ID | LC-117798 |
|---|---|
| CAS RN | Nincs megadva |
| PubChem CID | 95365 |
| Molecular formula | C14H10O2 |
| Molecular weight | 210.23 g/mol |
| IUPAC name | 3-phenyl-3H-2-benzofuran-1-one |
| InChIKey | SQFMIHCARVMICF-UHFFFAOYSA-N |
02Szerkezet és sztereokémia
2D structurePubChem CID 95365
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2 |
|---|---|
| InChI | Nincs megadva |
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.
04Indiai státusz
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nevek és kapcsolatok
API és anyavegyület
Nincs megadva
Nevek és kapcsolatok
06Források
- S01PubChem CID 95365
Structure and machine-readable chemical identifiers.