Ταυτότητα

Cyclohexanecarboxylic acid, 2-oxo-, methyl ester

Δεν αναφέρεται · C8H12O3

01Ταυτότητα

Lazychem ID	LC-113116
CAS RN	Δεν αναφέρεται
PubChem CID	170489
Molecular formula	C8H12O3
Molecular weight	156.18 g/mol
IUPAC name	methyl 2-oxocyclohexane-1-carboxylate
InChIKey	JEENWEAPRWGXSG-UHFFFAOYSA-N

02Δομή και στερεοχημεία

Two-dimensional chemical structure of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester — 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 stereocentres	0
Ring count	1
Secondary amines	0
Tertiary amines	0

SMILES	COC(=O)C1CCCCC1=O
InChI	Δεν αναφέρεται

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.