Identita

3-Methylhexanoic acid

Neuvedeno · C7H14O2

01Identita

Lazychem IDLC-117815
CAS RNNeuvedeno
PubChem CID95315
Molecular formulaC7H14O2
Molecular weight130.18 g/mol
IUPAC name3-methylhexanoic acid
InChIKeyNZQMQVJXSRMTCJ-UHFFFAOYSA-N

02Struktura a stereochemie

2D structurePubChem CID 95315
Two-dimensional chemical structure of 3-Methylhexanoic acid
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCCCC(C)CC(=O)O
InChINeuvedeno

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.

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

    Nečistoty a související sloučeniny

      06Zdroje