2D structurePubChem CID 643326
Identita
(R)-2-Phenoxypropionic acid
Neuvedeno · C9H10O3
01Identita
| Lazychem ID | LC-103715 |
|---|---|
| CAS RN | Neuvedeno |
| PubChem CID | 643326 |
| Molecular formula | C9H10O3 |
| Molecular weight | 166.17 g/mol |
| IUPAC name | (2R)-2-phenoxypropanoic acid |
| InChIKey | SXERGJJQSKIUIC-SSDOTTSWSA-N |
02Struktura a stereochemie
2D structurePubChem CID 643326
The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@H](C(=O)O)OC1=CC=CC=C1 |
|---|---|
| InChI | Neuvedeno |
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
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.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
06Zdroje
- S01PubChem CID 643326
Structure and machine-readable chemical identifiers.