Identitet

Npc102114

Ikke angivet · C9H9NaO5

01Identitet

Lazychem IDLC-64175
CAS RNIkke angivet
PubChem CID23711819
Molecular formulaC9H9NaO5
Molecular weight220.15 g/mol
IUPAC namesodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
InChIKeyZMMKVDBZTXUHFO-UHFFFAOYSA-M

02Struktur og stereokemi

2D structurePubChem CID 23711819
Two-dimensional chemical structure of Npc102114
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=C1CC(C(=O)[O-])O)O)O.[Na+]
InChIIkke angivet

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 i Indien

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

05Navne og relationer

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