Tunnistetiedot

6-hydroxy-2-phenylhexanenitrile

Ei ilmoitettu · C12H15NO

01Tunnistetiedot

Lazychem IDLC-40051
CAS RNEi ilmoitettu
PubChem CID57100808
Molecular formulaC12H15NO
Molecular weight189.25 g/mol
IUPAC name6-hydroxy-2-phenylhexanenitrile
InChIKeyBFIWPYHJLFUVRF-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 57100808
Two-dimensional chemical structure of 6-hydroxy-2-phenylhexanenitrile
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1=CC=C(C=C1)C(CCCCO)C#N
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

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