2-(1,3-Dioxo-2,3-dihydro-1h-inden-2-yl)quinoline-6,8-disulfonic acid

Base Information

• Chemical Name: 2-(1,3-Dioxo-2,3-dihydro-1h-inden-2-yl)quinoline-6,8-disulfonic acid
• CAS No.: 94803-32-4
• Molecular Formula: C18H11NO8S2
• UNII: G5MIQ8Q13H
• DSSTox Substance ID: DTXSID10873126
• Nikkaji Number: J402.742F
• Wikidata: Q81978695
• NCI Thesaurus Code: C80140
• ChEMBL ID: CHEMBL3306382

Synonyms:94803-32-4;2-(1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinoline-6,8-disulfonic acid;G5MIQ8Q13H;Chinogelb;6,8-Quinolinedisulfonic acid, 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-;Chinogelb Extra;Jaune de quinoleine;L-Gelb 3;D&C Yellow No. 10;6,8-Quinolinedisulfonic acid, 2-(1,3-dioxo-2-indanyl)-;UNII-G5MIQ8Q13H;C.I. Acid yellow 3, 9CI;SCHEMBL5356629;CHEMBL3306382;DTXSID10873126;E104;PD094565;2-(1,3-Dioxoindan-2-yl)quinoline-6,8-disulfonic acid

Chemical Property of 2-(1,3-Dioxo-2,3-dihydro-1h-inden-2-yl)quinoline-6,8-disulfonic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 432.99260866
• Heavy Atom Count: 29
• Complexity: 879

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O

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