Tunnistetiedot

2-Oxocyclohexanepropanoic acid

Ei ilmoitettu · C9H14O3

01Tunnistetiedot

Lazychem IDLC-117164
CAS RNEi ilmoitettu
PubChem CID98393
Molecular formulaC9H14O3
Molecular weight170.21 g/mol
IUPAC name3-(2-oxocyclohexyl)propanoic acid
InChIKeyJCIZEWRBCTUEFG-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 98393
Two-dimensional chemical structure of 2-Oxocyclohexanepropanoic acid
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1CCC(=O)C(C1)CCC(=O)O
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

Ei ilmoitettu

Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet