3,4-Dioxonaphthalene-2-carboxylic acid

Base Information

• Chemical Name: 3,4-Dioxonaphthalene-2-carboxylic acid
• CAS No.: 21905-88-4
• Molecular Formula: C₁₁H₆O₄
• Molecular Weight: 202.166
• DSSTox Substance ID: DTXSID401229675

Synonyms:21905-88-4;DTXSID401229675;3,4-Dihydro-3,4-dioxo-2-naphthalenecarboxylic acid

Chemical Property of 3,4-Dioxonaphthalene-2-carboxylic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.02660867
• Heavy Atom Count: 15
• Complexity: 367

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)C2=O)C(=O)O

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