3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid

Base Information

• Chemical Name: 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
• CAS No.: 202805-08-1
• Molecular Formula: C₁₉H₁₁NO₄
• Molecular Weight: 317.301
• DSSTox Substance ID: DTXSID901196055
• Nikkaji Number: J3.167.870F
• ChEMBL ID: CHEMBL1304633
• Mol file: 202805-08-1.mol

Synonyms:3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid;202805-08-1;3-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid;3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid;Benzoic acid, 3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)-;Oprea1_582236;Oprea1_815498;CBDivE_001892;MLS001207299;SCHEMBL1514286;SCHEMBL5161991;CHEMBL1304633;DTXSID901196055;HMS2840A13;STK395008;AKOS000520373;SMR000513647;AG-690/33077054;Z56880383;F0013-1089;3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)benzoic acid;3-(1,3-Dihydro-1,3-dioxo-2H-benzo[de]isoquinoline-2-yl)benzoic acid

Chemical Property of 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 317.06880783
• Heavy Atom Count: 24
• Complexity: 530

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Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=CC=CC(=C4)C(=O)O

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