Cas no 69098-01-7 (2-oxo-2-(2,4,6-trihydroxyphenyl)acetic acid)

2-Oxo-2-(2,4,6-trihydroxyphenyl)acetic acid is a phenolic derivative with a ketone-functionalized acetic acid moiety, exhibiting unique reactivity due to its polyhydroxy aromatic structure. This compound is of interest in synthetic organic chemistry for its potential as a building block in the preparation of complex molecules, particularly those requiring hydroxyl-rich frameworks. Its multiple hydroxyl groups enhance solubility in polar solvents and provide sites for further functionalization, such as esterification or glycosylation. The presence of the α-keto acid group allows for participation in condensation and nucleophilic addition reactions, making it useful in heterocycle synthesis. Its structural features may also contribute to chelating properties, relevant in coordination chemistry or antioxidant applications.

2-oxo-2-(2,4,6-trihydroxyphenyl)acetic acid structure

69098-01-7 structure

Product Name:2-oxo-2-(2,4,6-trihydroxyphenyl)acetic acid

CAS No:69098-01-7

MF:C₈H₆O₆

MW:198.129642963409

CID:2057219

PubChem ID:53690146

Update Time:2025-06-09

2-oxo-2-(2,4,6-trihydroxyphenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

- (2,4,6-trihydroxy-phenyl)-glyoxylic acid
- (2,4,6-Trihydroxy-phenyl)-glyoxylsaeure
- 2,4,6-Trihydroxy-phenyl-glyoxylsaeure
- 2,4,6-trihydroxyphenylglyoxylic acid
- 2-oxo-2-(2,4,6-trihydroxyphenyl)acetic acid
- CHEMBL3746374
- EN300-1865329
- 69098-01-7
- FO166278
- Inchi： 1S/C8H6O6/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,9-11H,(H,13,14)
- InChI Key： BMRQRDSXSJLTAI-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1C(C(=O)O)=O)O)O

Computed Properties

Exact Mass: 198.01643791g/mol
Monoisotopic Mass: 198.01643791g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 6
Heavy Atom Count: 14
Rotatable Bond Count: 2
Complexity: 238
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.8
Topological Polar Surface Area: 115?2

2-oxo-2-(2,4,6-trihydroxyphenyl)acetic acid Pricemore >>

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