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96401

3-Dehydroquinic acid potassium salt

≥97.0% (TLC)

Synonym(s):

(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid potassium salt, 5-Dehydroquinic acid potassium salt

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About This Item

Empirical Formula (Hill Notation):
C7H9KO6
CAS Number:
494211-79-9
Molecular Weight:
228.24
NACRES:
NA.32
PubChem Substance ID:
329770504
UNSPSC Code:
12352204
MDL number:
MFCD11045271
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Quality Segment

assay

≥97.0% (TLC)

form

powder

optical activity

[α]/D -48.0±4.0°, c = 1.5 in H2O

storage temp.

2-8°C

SMILES string

[K+].O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O

InChI

1S/C7H10O6.K/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h3,5,8,10,13H,1-2H2,(H,11,12);/q;+1/p-1/t3-,5+,7-;/m1./s1

InChI key

XOXNBNMEMILWBJ-HOMRGJANSA-M

Biochem/physiol Actions

Metabolic intermediate in the shikimate pathway; metabolite standard
Metabolite of the shikimate pathway, which is required for the synthesis of aromatic compounds in microorganismsand plants.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Codes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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