Identiteta

3,5,6-Trihydroxyindoline

Ni navedeno · C8H9NO3

01Identiteta

Lazychem IDLC-40553
CAS RNNi navedeno
PubChem CID53481587
Molecular formulaC8H9NO3
Molecular weight167.16 g/mol
IUPAC name2,3-dihydro-1H-indole-3,5,6-triol
InChIKeyXZENFLCMUCFEMQ-UHFFFAOYSA-N

02Struktura in stereokemija

2D structurePubChem CID 53481587
Two-dimensional chemical structure of 3,5,6-Trihydroxyindoline
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
SMILESC1C(C2=CC(=C(C=C2N1)O)O)O
InChINi navedeno

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 v Indiji

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

05Imena in povezave

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