2D structurePubChem CID 519845
Identidade
Methyl 3-hydroxyhexanoate
Não indicado · C7H14O3
01Identidade
| Lazychem ID | LC-106854 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 519845 |
| Molecular formula | C7H14O3 |
| Molecular weight | 146.18 g/mol |
| IUPAC name | methyl 3-hydroxyhexanoate |
| InChIKey | ACCRBMDJCPPJDX-UHFFFAOYSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 519845
The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCC(CC(=O)OC)O |
|---|---|
| InChI | Não indicado |
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.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
06Fontes
- S01PubChem CID 519845
Structure and machine-readable chemical identifiers.