Topaquinone

Base Information

• Chemical Name: Topaquinone
• CAS No.: 135791-48-9
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.17
• UNII: PAG3GKA51Y
• DSSTox Substance ID: DTXSID40982735
• Nikkaji Number: J1.329.022I,J634.971D
• Wikipedia: Topaquinone
• Wikidata: Q24063673
• Metabolomics Workbench ID: 41438
• Mol file: 135791-48-9.mol

Synonyms:6-hydroxydopa quinone;6-hydroxydopa quinone, (6-OH-3,4-dioxo)-tautomer;6-hydroxyphenylalanine-3,4-dione;topa quinone;topaquinone

Chemical Property of Topaquinone

Chemical Property:

• Boiling Point: 421.9±45.0 °C(Predicted)
• PKA: 2.18±0.10(Predicted)
• PSA: 117.69000
• Density: 1.602±0.06 g/cm3(Predicted)
• LogP: 0.00880
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 393

Purity/Quality:

6-Hydroxydopaquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=CC(=O)C1=O)O)CC(C(=O)O)N
• Isomeric SMILES: C1=C(C(=CC(=O)C1=O)O)C[C@@H](C(=O)O)N
• Uses: 6-Hydroxydopaquinone is a metabolite of dopaquione, an important intermediate in melanogenesis.

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