2D structurePubChem CID 11041212
Tożsamość
(R)-3-Phenylcyclohexanone
Nie podano · C12H14O
01Tożsamość
| Lazychem ID | LC-78913 |
|---|---|
| CAS RN | Nie podano |
| PubChem CID | 11041212 |
| Molecular formula | C12H14O |
| Molecular weight | 174.24 g/mol |
| IUPAC name | (3R)-3-phenylcyclohexan-1-one |
| InChIKey | CJAUDSQXFVZPTO-LLVKDONJSA-N |
02Struktura i stereochemia
2D structurePubChem CID 11041212
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1C[C@H](CC(=O)C1)C2=CC=CC=C2 |
|---|---|
| InChI | Nie podano |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
3 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
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.
04Status w Indiach
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazwy i powiązania
API i lek macierzysty
Nie podano
Nazwy i powiązania
06Źródła
- S01PubChem CID 11041212
Structure and machine-readable chemical identifiers.