Tożsamość

Dehydroacetic acid

Nie podano · C8H8O4

01Tożsamość

Lazychem IDLC-115516
CAS RNNie podano
PubChem CID122903
Molecular formulaC8H8O4
Molecular weight168.15 g/mol
IUPAC name3-acetyl-6-methylpyran-2,4-dione
InChIKeyPGRHXDWITVMQBC-UHFFFAOYSA-N

02Struktura i stereochemia

2D structurePubChem CID 122903
Two-dimensional chemical structure of Dehydroacetic 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
SMILESCC1=CC(=O)C(C(=O)O1)C(=O)C
InChINie podano

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 w Indiach

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

05Nazwy i powiązania

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