Identitet

beta-Methyllevulinic Acid

Inte angivet · C6H10O3

01Identitet

Lazychem IDLC-111005
CAS RNInte angivet
PubChem CID246523
Molecular formulaC6H10O3
Molecular weight130.14 g/mol
IUPAC name3-methyl-4-oxopentanoic acid
InChIKeyNFIWUVRBASXMGK-UHFFFAOYSA-N

02Struktur och stereokemi

2D structurePubChem CID 246523
Two-dimensional chemical structure of beta-Methyllevulinic Acid
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
SMILESCC(CC(=O)O)C(=O)C
InChIInte angivet

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 record

These 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 i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namn och relationer

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