2D structurePubChem CID 97860
Tunnistetiedot
6-Methoxyflavanone
Ei ilmoitettu · C16H14O3
01Tunnistetiedot
| Lazychem ID | LC-117261 |
|---|---|
| CAS RN | Ei ilmoitettu |
| PubChem CID | 97860 |
| Molecular formula | C16H14O3 |
| Molecular weight | 254.28 g/mol |
| IUPAC name | 6-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| InChIKey | YURQMHCZHLMHIB-UHFFFAOYSA-N |
02Rakenne ja stereokemia
2D structurePubChem CID 97860
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 | COC1=CC2=C(C=C1)OC(CC2=O)C3=CC=CC=C3 |
|---|---|
| InChI | Ei ilmoitettu |
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.
04Tila Intiassa
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nimet ja suhteet
API ja emolääke
Ei ilmoitettu
Nimet ja suhteet
06Lähteet
- S01PubChem CID 97860
Structure and machine-readable chemical identifiers.