2D structurePubChem CID 3702280
Identität
3-Methoxycyclohexanecarboxylic acid
Nicht angegeben · C8H14O3
01Identität
| Lazychem ID | LC-88478 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 3702280 |
| Molecular formula | C8H14O3 |
| Molecular weight | 158.19 g/mol |
| IUPAC name | 3-methoxycyclohexane-1-carboxylic acid |
| InChIKey | KAWNRNMMEKTYGM-UHFFFAOYSA-N |
02Struktur und Stereochemie
2D structurePubChem CID 3702280
The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | COC1CCCC(C1)C(=O)O |
|---|---|
| InChI | Nicht angegeben |
03Stereochemistry
The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.
04Status in Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen und Beziehungen
API und Ausgangsarzneistoff
Nicht angegeben
Namen und Beziehungen
06Quellen
- S01PubChem CID 3702280
Structure and machine-readable chemical identifiers.