2D structurePubChem CID 246523
Identität
beta-Methyllevulinic Acid
Nicht angegeben · C6H10O3
01Identität
| Lazychem ID | LC-111005 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 246523 |
| Molecular formula | C6H10O3 |
| Molecular weight | 130.14 g/mol |
| IUPAC name | 3-methyl-4-oxopentanoic acid |
| InChIKey | NFIWUVRBASXMGK-UHFFFAOYSA-N |
02Struktur und Stereochemie
2D structurePubChem CID 246523
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 | CC(CC(=O)O)C(=O)C |
|---|---|
| InChI | Nicht angegeben |
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.
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 246523
Structure and machine-readable chemical identifiers.